Molecule Details

CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1
Duplicate piperazine-chloroacetamide
Molecular Properties
SMILES:
CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1
MW: 261.753
Fraction sp3: 0.82
HBA: 2
HBD: 0
Rotatable Bonds: 2
TPSA: 43.86
cLogP: 0.8296
Covalent Warhead: ✔️
Covalent Fragment:

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

VIK-SYN-bf9c9ac8-1
1.000

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

SAD-SAT-1b030f84-9
0.576

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

AAR-POS-0daf6b7e-21
0.526

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3
0.500

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-19
0.500

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

VIK-SYN-9a3d118a-1
0.489

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

MAK-UNK-987948f6-5
0.476

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

MAK-UNK-704ed37c-11
0.475

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

MAK-UNK-704ed37c-12
0.465

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

SAD-SAT-1b030f84-8
0.455

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

MAK-UNK-987948f6-4
0.455

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

MAK-UNK-6ca90168-16
0.442

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

VIK-SYN-bf9c9ac8-2
0.435

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

MAK-UNK-6ca90168-17
0.432

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

MAK-UNK-6ca90168-18
0.432

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

SAD-SAT-5b1897b2-9
0.422

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

MAK-UNK-704ed37c-10
0.422

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

SAD-SAT-89668ff1-8
0.418

View
O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.410

View
O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.405

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

MAK-UNK-704ed37c-13
0.404

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

WAR-XCH-b0339bbe-18
0.396

View
CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.395

View
O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.390

View
O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.390

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

MAK-UNK-6ca90168-10
0.389

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

MAK-UNK-52a1ef4b-1
0.388

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

TOB-UNK-c2aba166-1
0.383

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

MAK-UNK-e4a48a85-14
0.382

View
O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.381

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AHN-SAT-de2502ba-8
0.377

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

MAK-UNK-52a1ef4b-3
0.377

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-25
0.377

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

SWA-SYN-6423ea73-5
0.377

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

SWA-SYN-d2e6fa14-5
0.377

View
CN(C)c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1

NIM-UNI-310206f0-6
0.375

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

SAD-SAT-bc31ec01-2
0.372

View
O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.372

View
O=C(CCl)N1CCN(C(=O)C2=CC[SH]=C2)CC1

SAD-SAT-3a925b8b-1
0.370

View
CC(C)N(C)C(=O)C1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-28
0.368

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

MAK-UNK-987948f6-2
0.365

View
COc1ccc(N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-0daf6b7e-18
0.364

View
CS1=CC(S(=O)(=O)N2CCN(C(=O)CCl)CC2)=CC1

MAK-UNK-d4768348-7
0.362

View
O=C(CCl)N1CCN(C2CCS(=O)(=O)C2)CC1

SAD-SAT-5b1897b2-6
0.358

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

MAR-TRE-6a44bbf2-56
0.358

View
CS1=NC(CC(=O)N2CCN(C(=O)CCl)CC2)C=C1

SAD-SAT-1b030f84-4
0.357

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1C

ASH-SAT-43770c7d-10
0.357

View
CC(C)c1coc(N2CCN(C(=O)CCl)CC2)n1

VIK-SYN-9a3d118a-2
0.356

View
COc1ccc([C@@H](C#N)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-77
0.356

View
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-17
0.356

View
CC(C)c1coc(N2CCN(C(=O)CCl)CC2)n1

VIK-SYN-bf9c9ac8-6
0.356

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

SIM-SYN-f15aaa3a-1
0.352

View
O=C(CCl)N1CCN(C(=O)N2C=CSC2)CC1

MAK-UNK-52a1ef4b-2
0.352

View
O=C(CCl)N1CCN(C(=O)c2ccco2)CC1

AAR-POS-d2a4d1df-29
0.352

View
O=C(CCl)N1CCN(C(=O)c2ccco2)CC1

MAR-TRE-6a44bbf2-61
0.352

View
O=C(CCl)N1CCN(C(=O)c2ccsc2)CC1

MAK-UNK-6ca90168-20
0.352

View
O=C(CCl)N1CCN(C(=O)c2cocn2)CC1

SAD-SAT-3a925b8b-4
0.352

View
O=C(CCl)N1CCN(C(=O)c2ccoc2)CC1

SAD-SAT-3a925b8b-5
0.352

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-LAB-efb042c5-5
0.351

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-68
0.351

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

MAR-TRE-6a44bbf2-52
0.351

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-27
0.351

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

AAR-POS-d2a4d1df-35
0.351

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CCC=C2)CC1

SAD-SAT-3a925b8b-9
0.351

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

LON-WEI-8f408cad-3
0.351

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

AAR-POS-d2a4d1df-22
0.351

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

MED-COV-4280ac29-15
0.351

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

MAR-TRE-6a44bbf2-32
0.350

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

MAK-UNK-af83ef51-2
0.350

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

ABB-MCD-f8003a30-1
0.350

View
CC(C)S(=O)(=O)N(CC1CC1)c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1

NIM-UNI-310206f0-25
0.348

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

SAD-SAT-65574d3f-5
0.347

View
O=C(CCl)N1CCN(C(=O)c2cscc2Cl)CC1

SAD-SAT-1b030f84-5
0.345

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

JOH-UNI-27ac80fd-25
0.345

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

AAR-POS-0daf6b7e-16
0.345

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

MAK-UNK-7c9d1431-12
0.345

View
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-13
0.345

View
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-78
0.345

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

AAR-POS-d2a4d1df-24
0.345

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

MAK-UNK-6ca90168-4
0.345

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

JOK-SYG-18591e8f-1
0.344

View
Cc1cc(N2CCN(C(=O)CCl)CC2)nc(C(C)C)n1

MAR-TRE-6a44bbf2-41
0.344

View
CC(C(=O)N1CCN(C(=O)CCl)CC1)c1ccccc1C#N

MAK-UNK-6ca90168-7
0.344

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

MAK-UNK-6c8f5f75-1
0.340

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

MAK-UNK-750cfbcc-1
0.340

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

MAK-UNK-750cfbcc-2
0.340

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

MAK-UNK-7c9d1431-24
0.340

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

VIK-SYN-9a3d118a-4
0.340

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

VIK-SYN-bf9c9ac8-7
0.340

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

MAR-TRE-6a44bbf2-87
0.340

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

MAR-TRE-6a44bbf2-21
0.339

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

SAD-SAT-5b1897b2-1
0.339

View
O=C(CCl)N1CCN(c2cccc(Cl)c2)CC1

SAD-SAT-65574d3f-9
0.339

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

MAK-UNK-7c9d1431-9
0.339

View
O=C(CCl)N1CCN(C(=O)Nc2ccccc2)CC1

AHN-SAT-de2502ba-7
0.339

View
O=C(CCl)N1CCN(S(=O)(=O)C2=NC[SH]=C2)CC1

MAK-UNK-d4768348-3
0.339

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

GIA-UNK-20b63697-7
0.339

View
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-24
0.339

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

SAD-SAT-65574d3f-10
0.339

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

SAD-SAT-5b1897b2-5
0.339

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

0.719

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

0.719

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

0.714

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

0.697

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

0.677

View
COCC(=O)N1CCN(C(=O)N(C)C(C)C)CC1

0.657

View
CCC(=O)N1CCCN(C(=O)N(C)C(C)C)CC1

0.657

View
CC(C)N(C)C(=O)N1CCCN(C(=O)N(C)C(C)C)CC1

0.645

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

0.645

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

0.639

View
CC(C)N(C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1

0.639

View
CC(C)CC(=O)N1CCCN(C(=O)N(C)C(C)C)CC1

0.639

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

0.625

View
CC(C)N(C)C(=O)N1CCN(CC(=O)N2CCCC2)CC1

0.622

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

0.618

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

0.618

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

0.611

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

0.606

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

0.606

View
CC(C)N(C)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1

0.605

View
CC(C)N(C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1

0.605

View
CC(C)N(C)C(=O)N1CCN(C(=O)CC2CCCCC2)CC1

0.605

View
CC(C)CN1CCN(C(=O)N(C)C(C)C)CC1

0.600

View
CC(C)N(C)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1

0.600

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

0.600

View
CC(C)N(C)C(=O)N1CCCCCCC1

0.594

View
CC(C)N(C)C(=O)N1CCCCCCCC1

0.594

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

0.594

View
CC(C)N(C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1

0.590

View
CC(C)N(C)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1

0.590

View
CC(C)N(C)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1

0.590

View
CC(C)N(C)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1

0.590

View
CC(C)N(C)C(=O)N1CCCN(C(=O)CC2CCCC2)CC1

0.590

View
CC(C)N(C)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1

0.590

View
CC(C)N(C)C(=O)N1CCN(C(=O)N2CCCC2)CC1

0.588

View
CC(C)N(C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1

0.588

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

0.588

View
CC1CN(C(=O)N(C)C(C)C)CCN(C(=O)N(C)C(C)C)C1

0.588

View
CC(C)N(C)C(=O)N1CCNCCN(C(=O)N(C)C(C)C)CC1

0.588

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

0.588

View
CCOC(=O)N1CCN(C(=O)N(C)C(C)C)CC1

0.583

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

0.583

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

0.583

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

0.583

View
CC(C)N(C)C(=O)N1CCSSCC1

0.576

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

0.576

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

0.576

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

0.576

View
CC(C)N(C)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1

0.575

View
Cc1ccc(CC(=O)N2CCN(C(=O)N(C)C(C)C)CC2)cc1

0.575

View
CC(=O)NCC(=O)N1CCCN(C(=O)N(C)C(C)C)CC1

0.575

View
CC(C)N(C)C(=O)N1CCN(C(=O)N2CCCCC2)CC1

0.571

View
CC(=O)N1CCCN(C(=O)N(C)C(C)C)CC1

0.571

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

0.571

View
CC(C)N(C)C(=O)N1CCN(C(=O)C2CC2)CC1

0.571

View
COC(=O)N1CCN(C(=O)N(C)C(C)C)CC1

0.571

View
CC(C)N(C)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1

0.571

View
Cc1ccc(OCC(=O)N2CCN(C(=O)N(C)C(C)C)CC2)cc1

0.571

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

0.571

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

0.568

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

0.568

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

0.568

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

0.568

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

0.568

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

0.568

View
CC(C)N(C)C(=O)N1CCSCC1

0.559

View
CC(C)N(C)C(=O)N1CCNCC1

0.559

View
CC(C)N(C)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1

0.558

View
CC(C)N(C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1

0.558

View
CC(C)N(C)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1

0.558

View
CC(C)N(C)C(=O)N1CCCN(C)CC1

0.556

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

0.556

View
CC(C)N(C)C(=O)N1CCN(C2CC2)CC1

0.556

View
CC(C)C(=O)N1CCCN(C(=O)N(C)C(C)C)CC1

0.556

View
CC(C)N(C)C(=O)N1CCCN(C(N)=O)CC1

0.556

View
CCC1CCN(C(=O)N(C)C(C)C)CC1

0.556

View
CC(C)N(C)C(=O)N1CCC(N2CCN(C(=O)N(C)C(C)C)CC2)CC1

0.556

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

0.553

View
CC(C)N(C)C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1

0.553

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

0.553

View
CCN1CCCN(C(=O)N(C)C(C)C)CC1

0.553

View
CC(C)N(C)C(=O)N1CCN(CC2CC2)CC1

0.553

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

0.553

View
CCS(=O)(=O)N1CCN(C(=O)N(C)C(C)C)CC1

0.553

View
CC(C)CCC1CCN(C(=O)N(C)C(C)C)CC1

0.553

View
CCCOC(=O)N1CCN(C(=O)N(C)C(C)C)CC1

0.553

View
CC(C)N(C)C(=O)N1CCC(CC(=O)N2CCCC2)CC1

0.550

View
CC(C)N(C)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1

0.550

View
CC(C)N(C)C(=O)N1CCN(C(=O)Cc2cccs2)CC1

0.548

View
CC(C)N(C)C(=O)N1CCC(F)CC1

0.543

View
CC(C)N(C)C(=O)N1CCC(N(C)C)CC1

0.543

View
CC(C)N(C)C(=O)N1CCC(C)(C)CC1

0.543

View
CC(C)N(C)C(=O)N1CCS(=O)(=O)CC1

0.543

View
CC(C)N(C)C(=O)N1CCC(C2CC2)CC1

0.543

View
CC(C)N(C)C(=O)N1CCC(N)CC1

0.543

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

0.543

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

0.543

View
CC(C)N(C)C(=O)N1CCN(C2CCCC2)CC1

0.541

View
CC(C)N(C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1

0.541

View
CC(C)N(C)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1

0.541

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

0.137

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

0.817

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

0.816

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

0.785

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

0.779

View
C(N1CCN(C(N(C)C)=O)CC1)(=O)CN(C)C

0.768

View


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