N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

C124H187N21O11S3 — CID 158943252

IUPACN-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CC[C@H]4CCC[C@@H](c5ccccc5)C4)c3C)CC2)CC1.Cc1c(CCC2CCC(C(C)(C)C)CC2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCC2CCCC(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1c(CCC2CCCC(c3ccccn3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C32H45N5O2.C31H46N6O3S.C31H45N5O3S.C30H51N5O3S/c1-23-29(12-11-24-7-6-10-27(21-24)25-8-4-3-5-9-25)34-22-35-30(23)32(39)37-19-15-28(16-20-37)36-17-13-26(14-18-36)31(38)33-2;1-23-28(11-10-24-7-6-8-25(21-24)29-9-4-5-16-32-29)33-22-34-30(23)31(38)37-19-14-27(15-20-37)36-17-12-26(13-18-36)35(2)41(3,39)40;1-23-29(12-11-24-7-6-10-26(21-24)25-8-4-3-5-9-25)32-22-33-30(23)31(37)36-19-15-28(16-20-36)35-17-13-27(14-18-35)34-40(2,38)39;1-22-27(12-9-23-7-10-24(11-8-23)30(2,3)4)31-21-32-28(22)29(36)35-19-15-26(16-20-35)34-17-13-25(14-18-34)33(5)39(6,37)38/h3-5,8-9,22,24,26-28H,6-7,10-21H2,1-2H3,(H,33,38);4-5,9,16,22,24-27H,6-8,10-15,17-21H2,1-3H3;3-5,8-9,22,24,26-28,34H,6-7,10-21H2,1-2H3;21,23-26H,7-20H2,1-6H3/t24-,27-;;;/m1.../s1
InChIKeyJKMYQVQJJWFZLX-QXJDTPBXSA-N
MW2244.20 g/mol
LogP17.64
Rot. Bonds30

About N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 158943252) has the molecular formula C124H187N21O11S3 and a molecular weight of 2244.20 g/mol. Its IUPAC name is N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
PubChem CID158943252
Molecular FormulaC124H187N21O11S3
Molecular Weight2244.20 g/mol
Exact Mass2242.39
IUPAC NameN-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CC[C@H]4CCC[C@@H](c5ccccc5)C4)c3C)CC2)CC1.Cc1c(CCC2CCC(C(C)(C)C)CC2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCC2CCCC(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1c(CCC2CCCC(c3ccccn3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C32H45N5O2.C31H46N6O3S.C31H45N5O3S.C30H51N5O3S/c1-23-29(12-11-24-7-6-10-27(21-24)25-8-4-3-5-9-25)34-22-35-30(23)32(39)37-19-15-28(16-20-37)36-17-13-26(14-18-36)31(38)33-2;1-23-28(11-10-24-7-6-8-25(21-24)29-9-4-5-16-32-29)33-22-34-30(23)31(38)37-19-14-27(15-20-37)36-17-12-26(13-18-36)35(2)41(3,39)40;1-23-29(12-11-24-7-6-10-26(21-24)25-8-4-3-5-9-25)32-22-33-30(23)31(37)36-19-15-28(16-20-36)35-17-13-27(14-18-35)34-40(2,38)39;1-22-27(12-9-23-7-10-24(11-8-23)30(2,3)4)31-21-32-28(22)29(36)35-19-15-26(16-20-35)34-17-13-25(14-18-34)33(5)39(6,37)38/h3-5,8-9,22,24,26-28H,6-7,10-21H2,1-2H3,(H,33,38);4-5,9,16,22,24-27H,6-8,10-15,17-21H2,1-3H3;3-5,8-9,22,24,26-28,34H,6-7,10-21H2,1-2H3;21,23-26H,7-20H2,1-6H3/t24-,27-;;;/m1.../s1
InChIKeyJKMYQVQJJWFZLX-QXJDTPBXSA-N
XLogP17.64
TPSA360.24 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.20
LogP ≤ 517.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

[5-methyl-2-(6-methyl-3-pyridinyl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;(5-methyl-2-pyrimidin-5-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 145622390
4-[[4-[[(1S,2S)-2-(2,2-difluoroethylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[4-[[(1S,2S)-2-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[4-[[(1S,2S)-2-(ethylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(piperidine-1-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 157343810
N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrazin-2-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 157777154
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
8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 158824408
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
4-[[4-[[(1S,2S)-2-(cyclopropanecarbonylamino)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[4-[[(1S,2S)-2-(methanesulfonamido)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(2-methylpropanoylamino)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propanoylamino)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 159224604
[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
CID 159253707
N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 159462784
N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 159698163
8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 159735005
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 159939763

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 158943252) is N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is CNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CC[C@H]4CCC[C@@H](c5ccccc5)C4)c3C)CC2)CC1.Cc1c(CCC2CCC(C(C)(C)C)CC2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCC2CCCC(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1c(CCC2CCCC(c3ccccn3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is JKMYQVQJJWFZLX-QXJDTPBXSA-N. The full InChI is InChI=1S/C32H45N5O2.C31H46N6O3S.C31H45N5O3S.C30H51N5O3S/c1-23-29(12-11-24-7-6-10-27(21-24)25-8-4-3-5-9-25)34-22-35-30(23)32(39)37-19-15-28(16-20-37)36-17-13-26(14-18-36)31(38)33-2;1-23-28(11-10-24-7-6-8-25(21-24)29-9-4-5-16-32-29)33-22-34-30(23)31(38)37-19-14-27(15-20-37)36-17-12-26(13-18-36)35(2)41(3,39)40;1-23-29(12-11-24-7-6-10-26(21-24)25-8-4-3-5-9-25)32-22-33-30(23)31(37)36-19-15-28(16-20-36)35-17-13-27(14-18-35)34-40(2,38)39;1-22-27(12-9-23-7-10-24(11-8-23)30(2,3)4)31-21-32-28(22)29(36)35-19-15-26(16-20-35)34-17-13-25(14-18-34)33(5)39(6,37)38/h3-5,8-9,22,24,26-28H,6-7,10-21H2,1-2H3,(H,33,38);4-5,9,16,22,24-27H,6-8,10-15,17-21H2,1-3H3;3-5,8-9,22,24,26-28,34H,6-7,10-21H2,1-2H3;21,23-26H,7-20H2,1-6H3/t24-,27-;;;/m1.../s1.
What are the key properties of N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 2244.20 g/mol, XLogP of 17.64, 30 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[6-[2-(4-tert-butylcyclohexyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-1-[1-[5-methyl-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidine-4-carboxamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(3-pyridin-2-ylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 158943252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).