Molecule Details

C#CCN1CCN(C(=O)CCl)CC1
piperazine-chloroacetamide Enamine Mcule MolPort Assayed
View on Fragalysis x3325
Molecular Properties
SMILES:
C#CCN1CCN(C(=O)CCl)CC1
MW: 200.669
Fraction sp3: 0.67
HBA: 2
HBD: 0
Rotatable Bonds: 2
TPSA: 23.55
cLogP: 0.00259999999999994
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine SCR: Z2417560794
Enamine REAL: Z1562141114
Enamine Extended REAL: m_270062____16411428____8147258
Mcule: MCULE-5213141587
MolPort: MolPort-014-513-104
Activity Data
Average Inhibition @ 50 µM - Fluorescence: 27.16465
Average Inhibition @ 20 µM - RapidFire: 6.85682273681733
Average Inhibition @ 50 µM - RapidFire: 7.12164094611649
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-04-17
Synthesis Location: enamine
Shipped: 2020-05-07

triple bond

triple_bond

O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7

View

O=C(CCl)N1CCN(C(=O)CCl)CC1

SAD-SAT-1b030f84-9
0.545

View
C#CCN1CCN(C(=O)C=C)CC1

TOB-UNK-c2aba166-2
0.524

View
CC(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-21
0.462

View
O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.459

View
O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.458

View
NC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-704ed37c-11
0.450

View
CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-56
0.449

View
N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.442

View
N#CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-17
0.442

View
O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.436

View
O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.436

View
O=C(CCl)N1CCN(C(=O)N2CCCC2)CC1

MAK-UNK-704ed37c-10
0.432

View
O=C(CCl)N1CCN(C(=O)C2CC2)CC1

SAD-SAT-5b1897b2-9
0.432

View
O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.425

View
O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

MAK-UNK-7c9d1431-29
0.420

View
CC(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-987948f6-5
0.419

View
C=CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-16
0.419

View
O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.417

View
N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.415

View
O=C(CCl)N1CCN(C(=O)N2CCCCCC2)CC1

MAK-UNK-704ed37c-13
0.413

View
O=C(CCl)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

PAU-UNI-8cdd41c7-1
0.412

View
CNC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-704ed37c-12
0.409

View
N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.409

View
NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-1
0.409

View
O=C(CCl)N1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-4
0.407

View
O=C(CCl)N1CCN(Cc2cc(O)cc(Cl)c2)CC1

MAT-POS-2db6411e-2
0.400

View
O=C(CCl)N1CCN(Cc2cc(O)cc(Cl)c2)CC1

SAD-SAT-581007d4-7
0.400

View
C=C(C)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-987948f6-4
0.400

View
NS(=O)(=O)CC(=O)N1CCN(C(=O)CCl)CC1

SAD-SAT-1b030f84-8
0.400

View
O=C(CCl)N1CCN(Cc2ccsc2)CC1

MAK-UNK-212f693e-8
0.396

View
O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7
0.396

View
O=C(CCl)N1CCN(Cc2ccsc2)CC1

AAR-POS-0daf6b7e-13
0.396

View
O=C(CCl)N1CCN(CCCc2ccccc2)CC1

MAK-UNK-15efde89-1
0.393

View
O=C(CCl)N1CCN(Cc2ccco2)CC1

MAK-UNK-7c9d1431-28
0.389

View
O=C(CCl)N1CCN(Cc2cccs2)CC1

AAR-POS-0daf6b7e-17
0.389

View
CN(CN1CCC(O)CC1)CN1CCN(C(=O)CCl)CC1

MAK-UNK-e4a48a85-14
0.389

View
O=C(CCl)N1CCN(Cc2ccc(Cl)s2)CC1

AAR-POS-0daf6b7e-2
0.389

View
O=C(CCl)N1CCN(Cc2cccs2)CC1

LON-WEI-8f408cad-5
0.389

View
O=C(CCl)N1CCN(Cc2cscc2Cl)CC1

SAD-SAT-bc31ec01-1
0.389

View
Cc1ccc(NC(=O)CN2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-12
0.386

View
CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-bf9c9ac8-1
0.383

View
CCNC(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-bf9c9ac8-2
0.383

View
CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-4
0.383

View
Cc1ccc(CN2CCN(C(=O)CCl)CC2)o1

MAR-LAB-ca4662a6-2
0.382

View
O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-23
0.382

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

MED-COV-4280ac29-15
0.382

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

AAR-POS-d2a4d1df-35
0.382

View
O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

AAR-POS-0daf6b7e-12
0.382

View
O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.381

View
O=C(CCl)N1CCS(=O)(=O)CC1

SAD-SAT-bc31ec01-2
0.381

View
O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1

AHN-SAT-de2502ba-15
0.379

View
O=C(CCl)N1CCN(C(=O)c2cccs2)CC1

AAR-POS-0daf6b7e-16
0.377

View
O=C(CCl)N1CCC(N2CCN(C(=O)CCl)CC2)CC1

WAR-XCH-b0339bbe-18
0.375

View
O=C(CCl)N1CCN(C/C=C/c2ccccc2)CC1

SAD-SAT-65574d3f-1
0.375

View
Cc1ccccc1CN1CCN(C(=O)CCl)CC1

MAK-UNK-7c9d1431-20
0.375

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24
0.375

View
O=C(CCl)N1CCN(Cc2cc(F)cc(Cl)c2)CC1

SAD-SAT-581007d4-1
0.375

View
Cc1cc(Cl)cc(CN2CCN(C(=O)CCl)CC2)c1

SAD-SAT-581007d4-2
0.375

View
CC(C)NC(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-9a3d118a-1
0.375

View
O=C(CCl)N1CCN(Cc2ccc(CS(=O)(=O)F)cc2)CC1

JIA-UNI-93b03cae-1
0.375

View
O=C(CCl)N1CCN(C/C=C/c2ccccc2)CC1

AHN-SAT-de2502ba-14
0.375

View
CN(C)Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

JOK-SYG-18591e8f-1
0.373

View
O=C(CN1CCN(C(=O)CCl)CC1)Nc1ccc(F)cc1

MAR-TRE-6a44bbf2-47
0.373

View
CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.372

View
Cc1nc(CN2CCN(C(=O)CCl)CC2)cs1

SAD-SAT-5b1897b2-2
0.368

View
O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC1

NEH-REV-107bcf72-5
0.368

View
Nc1csc(O)c1CN1CCN(C(=O)CCl)CC1

ASH-SAT-43770c7d-5
0.368

View
O=C(CCl)N1CCN(C(=O)n2cccc2)CC1

MAK-UNK-52a1ef4b-1
0.367

View
N#Cc1ccsc1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-1
0.367

View
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-30
0.367

View
N#Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAT-POS-ee51dedd-1
0.367

View
C#CCN1CCN(S(=O)(=O)C=C)CC1

TOB-UNK-c2aba166-3
0.362

View
CC(=O)NCCCC(=O)NCC(=O)NCN1CCN(C(=O)CCl)CC1

MAK-UNK-176ca439-1
0.361

View
O=C(CCl)N1CCN(C(=O)N2C=COC2)CC1

MAK-UNK-52a1ef4b-3
0.358

View
CNC(=O)NS(=O)(=O)N1CCN(C(=O)CCl)CC1

SWA-SYN-6423ea73-5
0.358

View
CNC(=O)NS(=O)(=O)N1CCN(C(=O)CCl)CC1

SWA-SYN-d2e6fa14-5
0.358

View
NC(CCN1CCN(C(=O)CCl)CC1)N1CCC(O)CC1

MAK-UNK-e4a48a85-13
0.356

View
O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.354

View
O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.354

View
CC(=O)Nc1cc(C#N)cc(CN2CCN(C(=O)CCl)CC2)c1

TAM-UNI-d1c3dd9f-16
0.354

View
O=C(CCl)N1CCN(C(=O)c2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-25
0.352

View
O=C(NCCN1CCN(C(=O)CCl)CC1)c1ccccc1

STE-KUL-2e0d2e88-1
0.350

View
C#Cc1ccccc1C(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-5
0.350

View
CCc1ccccc1NC(=O)CN1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-27
0.349

View
CNC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-2
0.347

View
O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-bf9c9ac8-7
0.346

View
O=C(CCl)N1CCN(c2ncccn2)CC1

MAR-TRE-6a44bbf2-87
0.346

View
O=C(CCl)N1CCN(C(=O)c2ccccc2)CC1

MAK-UNK-987948f6-2
0.346

View
O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-9a3d118a-4
0.346

View
Cc1ccccc1CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-10
0.345

View
O=C(CCl)N1CCN(c2cnccn2)CC1

SAD-SAT-5b1897b2-1
0.345

View
O=C(CCl)N1CCN(C(c2ccccc2)C(CO)CO)CC1

GIA-UNK-20b63697-7
0.345

View
COc1ccc(CN2CCN(C(=O)CCl)CC2)cc1F

SAD-SAT-5b1897b2-5
0.344

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAR-TRE-6a44bbf2-54
0.344

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAK-UNK-7c9d1431-16
0.344

View
N#CC(CCc1ccccc1)N1CCN(C(=O)CCl)CC1

MAK-UNK-10dfa458-39
0.344

View
COc1cc(C)c(CN2CCN(C(=O)CCl)CC2)cc1OC

SAD-SAT-65574d3f-10
0.344

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

MAK-UNK-7c9d1431-14
0.344

View
O=C(CN1CCN(C(=O)CCl)CC1)Nc1cccc(F)c1

MAR-TRE-6a44bbf2-3
0.344

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)CCO3)CC1

MAK-UNK-7c9d1431-18
0.344

View
C#CCCN1CCN(C(=O)CCl)CC1

0.742

View
C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCN(CC#C)CC3)CC2)CC1

0.700

View
C#CCN1CCN(C(=O)CCCCC(=O)N2CCN(CC#C)CC2)CC1

0.677

View
C#CCN1CCN(C(=O)CCCC(=O)N2CCN(CC#C)CC2)CC1

0.677

View
C#CCN1CCN(C(=O)CO)CC1

0.677

View
N#CCN1CCN(C(=O)CCl)CC1

0.677

View
C#CCN1CCN(C(=O)CCCCCC(=O)N2CCN(CC#C)CC2)CC1

0.656

View
C#CCN1CCN(C(=O)CCCCCCC(=O)N2CCN(CC#C)CC2)CC1

0.656

View
C#CCN1CCN(C(=O)CSCC(=O)N2CCN(CC#C)CC2)CC1

0.656

View
C#CCN1CCN(C(=O)COCC(=O)N2CCN(CC#C)CC2)CC1

0.656

View
C#CCN1CCN(C(=O)CCCCCCCC(=O)N2CCN(CC#C)CC2)CC1

0.656

View
C#CCN1CCN(C(=O)CC(F)(F)F)CC1

0.656

View
C#CCCC(=O)N1CCN(CC#C)CC1

0.656

View
C#CCN1CCN(C(=O)CC(C)(C)C)CC1

0.636

View
C#CCN1CCN(C(=O)CS(=O)(=O)CC(=O)N2CCN(CC#C)CC2)CC1

0.636

View
C#CCN1CCN(C(=O)CN2CCCN(CC(=O)N3CCN(CC#C)CC3)CC2)CC1

0.636

View
C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)CC1

0.636

View
C#CCN1CCN(C(=O)CN(C)C)CC1

0.636

View
C#CCN1CCN(C(=O)CN2CCCC2)CC1

0.636

View
C#CCN1CCN(C(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1

0.636

View
C#CCN1CCN(C(=O)COC(C)(C)C)CC1

0.629

View
C#CCN1CCN(C(=O)CC(CC)CC)CC1

0.629

View
C#CCN1CCN(C(=O)CC2(C(F)(F)F)CC2)CC1

0.629

View
C#CCN1CCN(C(=O)CSC)CC1

0.618

View
C#CCN1CCN(C(=O)CCC(C)=O)CC1

0.618

View
C#CCN1CCN(C(=O)COCCOCC(=O)N2CCN(CC#C)CC2)CC1

0.618

View
C#CCN1CCN(C(=O)CCSCCC(=O)N2CCN(CC#C)CC2)CC1

0.618

View
C#CCN1CCN(C(=O)CCC(N)=O)CC1

0.618

View
C#CCN1CCN(C(=O)CC(C)CC(=O)N2CCN(CC#C)CC2)CC1

0.618

View
C#CCN1CCN(C(=O)CC2CC2)CC1

0.618

View
C#CCN1CCN(C(=O)Cc2ccc(CC(=O)N3CCN(CC#C)CC3)cc2)CC1

0.618

View
C#CCN1CCN(C(=O)CCC(F)(F)F)CC1

0.618

View
C#CCCCC(=O)N1CCN(CC#C)CC1

0.618

View
C#CCOCC(=O)N1CCN(CC#C)CC1

0.618

View
C#CCN1CCN(C(=O)CCOCCC(=O)N2CCN(CC#C)CC2)CC1

0.618

View
C#CCN1CCN(C(=O)CC(O)CC(=O)N2CCN(CC#C)CC2)CC1

0.618

View
C#CCN1CCN(C(=O)CC(C)(F)F)CC1

0.618

View
C#CCN1CCN(C(=O)CC(F)(F)C(F)(F)F)CC1

0.618

View
C#CCN1CCN(C(=O)CN2CCCCCCC2)CC1

0.618

View
C#CCN1CCN(C(=O)CN2CCCCCC2)CC1

0.618

View
C#CCN1CCN(C(=O)CN2CCN(CC)CC2)CC1

0.618

View
C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)CC1

0.618

View
C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)CC1

0.618

View
C#CCN1CCN(C(=O)CN2CCCCCCCC2)CC1

0.618

View
C#CCN1CCN(C(=O)CC(C)C)CC1

0.618

View
C#CCN1CCN(CC(=O)N2CCCC2)CC1

0.606

View
C#CCN1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1

0.605

View
C#CCN1CCN(C(=O)CS(C)(=O)=O)CC1

0.600

View
C#CCN1CCN(C(=O)CCCC)CC1

0.600

View
C#CCN1CCN(C(=O)CCC(=O)N2CCOCC2)CC1

0.600

View
C#CCN1CCN(C(=O)CCC(C)C)CC1

0.600

View
C#CCN1CCN(C(=O)CSC(F)F)CC1

0.600

View
C#CCCCCC(=O)N1CCN(CC#C)CC1

0.600

View
C#CCN1CCN(C(=O)CC(C)(C)O)CC1

0.600

View
C#CCN1CCN(C(=O)CSC(F)(F)F)CC1

0.600

View
C#CCSCC(=O)N1CCN(CC#C)CC1

0.600

View
C#CCN1CCN(C(=O)CCC(C)(C)C)CC1

0.600

View
C#CCN1CCN(C(=O)CC(C)(C)CC)CC1

0.600

View
C#CCN1CCN(C(=O)CCC(F)F)CC1

0.600

View
C#CCN1CCN(C(=O)CC(F)(F)CC)CC1

0.600

View
C#CCN1CCN(C(=O)CCC2(CCC(=O)N3CCN(CC#C)CC3)CC2)CC1

0.600

View
C#CCN1CCCN(C(=O)CCCCC(=O)N2CCCN(CC#C)CC2)CC1

0.600

View
C#CCN1CCCN(C(=O)CO)CC1

0.600

View
C#CCN1CCCN(C(=O)CCCC(=O)N2CCCN(CC#C)CC2)CC1

0.600

View
C#CCN1CCCN(C(=O)CN2CCCC2)CC1

0.600

View
C#CCN1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1

0.600

View
C#CCN1CCN(C(=O)CN2CCN(C)CC2)CC1

0.600

View
C#CCN1CCN(C(=O)CN2CCCN(CC(=O)N3CCCC3)CC2)CC1

0.600

View
C#CCCN1CCN(CC(=O)N2CCN(CC#C)CC2)CC1

0.600

View
C#CCN1CCN(C(=O)CN2CCN(C(=O)CO)CC2)CC1

0.600

View
C#CCN1CCN(C(=O)CN2CCN(C(=O)CC)CC2)CC1

0.600

View
C#CCN1CCN(C(=O)CN2CCSSCC2)CC1

0.600

View
C#CCN1CCN(C(=O)CN2CCN(CC(N)=O)CC2)CC1

0.600

View
C#CCN1CCN(C(=O)CC(O)C(Cl)(Cl)Cl)CC1

0.595

View
C#CCN1CCN(C(=O)CC(CCC)CCC)CC1

0.595

View
C#CCN1CCN(C(=O)CC2CC2(Cl)Cl)CC1

0.595

View
C#CCN1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1

0.595

View
C#CCN1CCN(C(=O)C23CCC(C(=O)N4CCN(CC#C)CC4)(CC2)CC3)CC1

0.594

View
C#CCN1CCN(C(=O)C(F)(F)F)CC1

0.594

View
C#CCN1CCN(C(=O)N2CCC2)CC1

0.594

View
C#CCN1CCN(C(=O)N2CCCC2)CC1

0.594

View
C#CCN1CCN(C(=O)C(=O)N2CCCC2)CC1

0.594

View
O=C(CCl)N1CCN(CC(F)(F)F)CC1

0.594

View
C#CCN1CCN(C(=O)C2(C(F)(F)F)CC2)CC1

0.588

View
C#CCN1CCN(C(=O)C(C)(Cl)Cl)CC1

0.588

View
C#CCN1CCN(C(=O)C23CC(F)(C2)C3)CC1

0.588

View
C#CCN1CCN(C(=O)C(CC)(CC)CC)CC1

0.588

View
C#CCN1CCN(CC(=O)N2CCCCCC2)CC1

0.588

View
C#CCN1CCN(CC(=O)N2CCCCC2)CC1

0.588

View
N#CCCN1CCN(C(=O)CCl)CC1

0.588

View
C#CCN1CCN(C(=O)CSCC(N)=O)CC1

0.583

View
C#CCN1CCN(C(=O)CS(=O)(=O)C(F)F)CC1

0.583

View
C#CCN1CCN(C(=O)CNC(C)=O)CC1

0.583

View
C#CCN1CCN(C(=O)CCCCC)CC1

0.583

View
C#CCN1CCN(C(=O)CC2(CC(=O)N3CCN(CC#C)CC3)CCCC2)CC1

0.583

View
C#CCN1CCN(C(=O)CC2CCCC2)CC1

0.583

View
C#CCN1CCN(C(=O)COCC)CC1

0.583

View
C#CCN1CCN(C(=O)CC(=O)OC)CC1

0.583

View
C#CCN1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1

0.583

View
C#CCN1CCN(C(=O)CCSC)CC1

0.583

View

N1(CC#C)CCN(C(C)=O)CC1

0.871

View
N1(CC#CC)CCN(C(C)=O)CC1

0.822

View
N1(CC(Cl)Cl)CCN(C(C)=O)CC1

0.791

View
C(N1CCN(CC)CC1)(C(Cl)Cl)=O

0.791

View
N1(CC)CCN(C(C)=O)CC1

0.776

View


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