1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

C155H219Cl3F2N28O13S3 — CID 160878656

IUPAC1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCC4CCCC(c5ccc(Cl)cc5)C4)c3C)CC2)CC1.CNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCC4CCCC(c5ccc(F)cc5)C4)c3C)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(Cl)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(Cl)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C32H44ClN5O2.C32H44FN5O2.C31H45ClN6O3S.C30H43ClN6O3S.C30H43FN6O3S/c2*1-22-29(11-6-23-4-3-5-26(20-23)24-7-9-27(33)10-8-24)35-21-36-30(22)32(40)38-18-14-28(15-19-38)37-16-12-25(13-17-37)31(39)34-2;1-22-29(31(39)38-17-13-28(14-18-38)37-15-11-27(12-16-37)36(2)42(3,40)41)34-21-35-30(22)33-20-23-5-4-6-25(19-23)24-7-9-26(32)10-8-24;2*1-21-28(30(38)37-16-12-27(13-17-37)36-14-10-26(11-15-36)35-41(2,39)40)33-20-34-29(21)32-19-22-4-3-5-24(18-22)23-6-8-25(31)9-7-23/h2*7-10,21,23,25-26,28H,3-6,11-20H2,1-2H3,(H,34,39);7-10,21,23,25,27-28H,4-6,11-20H2,1-3H3,(H,33,34,35);2*6-9,20,22,24,26-27,35H,3-5,10-19H2,1-2H3,(H,32,33,34)
InChIKeySMSVFJXERFDPLT-UHFFFAOYSA-N
MW2923.20 g/mol
LogP23.46
Rot. Bonds38

About 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 160878656) has the molecular formula C155H219Cl3F2N28O13S3 and a molecular weight of 2923.20 g/mol. Its IUPAC name is 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
PubChem CID160878656
Molecular FormulaC155H219Cl3F2N28O13S3
Molecular Weight2923.20 g/mol
Exact Mass2919.55
IUPAC Name1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCC4CCCC(c5ccc(Cl)cc5)C4)c3C)CC2)CC1.CNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCC4CCCC(c5ccc(F)cc5)C4)c3C)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(Cl)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(Cl)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C32H44ClN5O2.C32H44FN5O2.C31H45ClN6O3S.C30H43ClN6O3S.C30H43FN6O3S/c2*1-22-29(11-6-23-4-3-5-26(20-23)24-7-9-27(33)10-8-24)35-21-36-30(22)32(40)38-18-14-28(15-19-38)37-16-12-25(13-17-37)31(39)34-2;1-22-29(31(39)38-17-13-28(14-18-38)37-15-11-27(12-16-37)36(2)42(3,40)41)34-21-35-30(22)33-20-23-5-4-6-25(19-23)24-7-9-26(32)10-8-24;2*1-21-28(30(38)37-16-12-27(13-17-37)36-14-10-26(11-15-36)35-41(2,39)40)33-20-34-29(21)32-19-22-4-3-5-24(18-22)23-6-8-25(31)9-7-23/h2*7-10,21,23,25-26,28H,3-6,11-20H2,1-2H3,(H,34,39);7-10,21,23,25,27-28H,4-6,11-20H2,1-3H3,(H,33,34,35);2*6-9,20,22,24,26-27,35H,3-5,10-19H2,1-2H3,(H,32,33,34)
InChIKeySMSVFJXERFDPLT-UHFFFAOYSA-N
XLogP23.46
TPSA470.66 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002923.20
LogP ≤ 523.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-[6-[(4-chloro-3-fluorophenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 68070812
N-[1-[1-[6-[(4-chloro-3-fluorophenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 68071288
[6-[3-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-[3-(4-fluorophenyl)piperidin-1-yl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-(4-methylphenyl)piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[4-(3-methylphenyl)piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 157614895
N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 157741623
N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 157809697
N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 157809700
[6-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3-chloro-4-methylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-chloro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide
CID 158147658
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylpropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyrimidine-4-carboxamide
CID 158390440
3-(5-amino-2-chlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-[2-chloro-5-(methanesulfonamido)phenyl]-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;N-[4-chloro-3-[[methyl-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]carbamoyl]amino]phenyl]-3-(1,1-difluoroethyl)benzamide;3-(2-chloro-5-methylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 158500601
1-chloro-4-(4-methylpentyl)benzene;N-(4-chlorophenyl)-3-methylbutanamide;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one;N-ethyl-N,3-dimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,N,3-trimethylbutanamide
CID 158739781
[6-[3-(4-Tert-butylphenyl)propyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[2-(3-chloro-4-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[3-(3,4-difluorophenyl)propyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[5-methyl-6-[2-(1-phenylpiperidin-4-yl)ethyl]pyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 158835075
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylpropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyrimidine-4-carboxamide
CID 158853789

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 160878656) is 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is CNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCC4CCCC(c5ccc(Cl)cc5)C4)c3C)CC2)CC1.CNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCC4CCCC(c5ccc(F)cc5)C4)c3C)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(Cl)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(Cl)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is SMSVFJXERFDPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44ClN5O2.C32H44FN5O2.C31H45ClN6O3S.C30H43ClN6O3S.C30H43FN6O3S/c2*1-22-29(11-6-23-4-3-5-26(20-23)24-7-9-27(33)10-8-24)35-21-36-30(22)32(40)38-18-14-28(15-19-38)37-16-12-25(13-17-37)31(39)34-2;1-22-29(31(39)38-17-13-28(14-18-38)37-15-11-27(12-16-37)36(2)42(3,40)41)34-21-35-30(22)33-20-23-5-4-6-25(19-23)24-7-9-26(32)10-8-24;2*1-21-28(30(38)37-16-12-27(13-17-37)36-14-10-26(11-15-36)35-41(2,39)40)33-20-34-29(21)32-19-22-4-3-5-24(18-22)23-6-8-25(31)9-7-23/h2*7-10,21,23,25-26,28H,3-6,11-20H2,1-2H3,(H,34,39);7-10,21,23,25,27-28H,4-6,11-20H2,1-3H3,(H,33,34,35);2*6-9,20,22,24,26-27,35H,3-5,10-19H2,1-2H3,(H,32,33,34).
What are the key properties of 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 2923.20 g/mol, XLogP of 23.46, 38 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[2-[3-(4-chlorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[[3-(4-chlorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-[3-(4-fluorophenyl)cyclohexyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 160878656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).