[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

C186H247Cl3F7N29O7 — CID 158835075

IUPAC[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
SMILESCc1c(CCC2CCCC(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCC2CCN(c3ccccc3)CC2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCCc2ccc(F)c(F)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(C(F)(F)F)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(Cl)c(F)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(F)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C30H42N4O.C29H41N5O.C29H42N4O.C25H30ClF3N4O.C25H32F2N4O.2C24H30ClFN4O/c1-23-28(14-13-24-9-8-12-26(21-24)25-10-4-2-5-11-25)31-22-32-29(23)30(35)34-19-15-27(16-20-34)33-17-6-3-7-18-33;1-23-27(11-10-24-12-18-33(19-13-24)25-8-4-2-5-9-25)30-22-31-28(23)29(35)34-20-14-26(15-21-34)32-16-6-3-7-17-32;1-22-26(10-8-9-23-11-13-24(14-12-23)29(2,3)4)30-21-31-27(22)28(34)33-19-15-25(16-20-33)32-17-6-5-7-18-32;1-17-22(8-6-18-5-7-20(21(26)15-18)25(27,28)29)30-16-31-23(17)24(34)33-13-9-19(10-14-33)32-11-3-2-4-12-32;1-18-23(7-5-6-19-8-9-21(26)22(27)16-19)28-17-29-24(18)25(32)31-14-10-20(11-15-31)30-12-3-2-4-13-30;1-17-22(8-6-18-5-7-21(26)20(25)15-18)27-16-28-23(17)24(31)30-13-9-19(10-14-30)29-11-3-2-4-12-29;1-17-22(8-6-18-5-7-20(25)21(26)15-18)27-16-28-23(17)24(31)30-13-9-19(10-14-30)29-11-3-2-4-12-29/h2,4-5,10-11,22,24,26-27H,3,6-9,12-21H2,1H3;2,4-5,8-9,22,24,26H,3,6-7,10-21H2,1H3;11-14,21,25H,5-10,15-20H2,1-4H3;5,7,15-16,19H,2-4,6,8-14H2,1H3;8-9,16-17,20H,2-7,10-15H2,1H3;2*5,7,15-16,19H,2-4,6,8-14H2,1H3
InChIKeyIXNLNTSQBQWJPH-UHFFFAOYSA-N
MW3240.56 g/mol
LogP34.42
Rot. Bonds39

About [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

[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 (PubChem CID 158835075) has the molecular formula C186H247Cl3F7N29O7 and a molecular weight of 3240.56 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158835075
Molecular FormulaC186H247Cl3F7N29O7
Molecular Weight3240.56 g/mol
Exact Mass3236.88
IUPAC Name[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
SMILESCc1c(CCC2CCCC(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCC2CCN(c3ccccc3)CC2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCCc2ccc(F)c(F)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(C(F)(F)F)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(Cl)c(F)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(F)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C30H42N4O.C29H41N5O.C29H42N4O.C25H30ClF3N4O.C25H32F2N4O.2C24H30ClFN4O/c1-23-28(14-13-24-9-8-12-26(21-24)25-10-4-2-5-11-25)31-22-32-29(23)30(35)34-19-15-27(16-20-34)33-17-6-3-7-18-33;1-23-27(11-10-24-12-18-33(19-13-24)25-8-4-2-5-9-25)30-22-31-28(23)29(35)34-20-14-26(15-21-34)32-16-6-3-7-17-32;1-22-26(10-8-9-23-11-13-24(14-12-23)29(2,3)4)30-21-31-27(22)28(34)33-19-15-25(16-20-33)32-17-6-5-7-18-32;1-17-22(8-6-18-5-7-20(21(26)15-18)25(27,28)29)30-16-31-23(17)24(34)33-13-9-19(10-14-33)32-11-3-2-4-12-32;1-18-23(7-5-6-19-8-9-21(26)22(27)16-19)28-17-29-24(18)25(32)31-14-10-20(11-15-31)30-12-3-2-4-13-30;1-17-22(8-6-18-5-7-21(26)20(25)15-18)27-16-28-23(17)24(31)30-13-9-19(10-14-30)29-11-3-2-4-12-29;1-17-22(8-6-18-5-7-20(25)21(26)15-18)27-16-28-23(17)24(31)30-13-9-19(10-14-30)29-11-3-2-4-12-29/h2,4-5,10-11,22,24,26-27H,3,6-9,12-21H2,1H3;2,4-5,8-9,22,24,26H,3,6-7,10-21H2,1H3;11-14,21,25H,5-10,15-20H2,1-4H3;5,7,15-16,19H,2-4,6,8-14H2,1H3;8-9,16-17,20H,2-7,10-15H2,1H3;2*5,7,15-16,19H,2-4,6,8-14H2,1H3
InChIKeyIXNLNTSQBQWJPH-UHFFFAOYSA-N
XLogP34.42
TPSA348.55 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003240.56
LogP ≤ 534.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze [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 with MolForge

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Related Compounds

[4-[2-Amino-5-[2-[4-[4-[4-[2-amino-5-[2-[4-[4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-3-fluorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-6-methyl-3-pyridinyl]piperidine-1-carbonyl]-3-chlorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]piperidin-1-yl]-[4-[5-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 123896323
N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 129078651
(4-Chloro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-fluoro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2-methyl-4-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methyl-2-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-[2-(trifluoromethyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 157273685
Bis(2-[3-[(5-chloro-3-pyridinyl)-methylamino]phenyl]-1-(3-methylphenyl)ethanone);1-[4-(1,1-difluoroethyl)-2-pyridinyl]-2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;bis(2-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(3-methylphenyl)ethanone)
CID 157296901
(4-Chloro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-fluoro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(2-methyl-4-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methyl-2-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-[2-(trifluoromethyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 157756266
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
8-chloro-N,N-dimethyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinoline-1-carboxamide;4-[8-chloro-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinoline-1-carbonyl]piperazin-2-one;[8-chloro-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-yl]-(4,4-difluoropiperidin-1-yl)methanone;[8-chloro-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-yl]-piperidin-1-ylmethanone
CID 158235081
N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide
CID 158293886
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
1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine
CID 159022390
1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine
CID 159143702
N-[1-[1-[6-[4-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[4-(4-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-(4-phenylpiperidin-1-yl)pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 159157731

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1c(CCC2CCCC(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCC2CCN(c3ccccc3)CC2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCCc2ccc(F)c(F)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(C(F)(F)F)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(Cl)c(F)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.Cc1c(CCc2ccc(F)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [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?
The InChIKey is IXNLNTSQBQWJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O.C29H41N5O.C29H42N4O.C25H30ClF3N4O.C25H32F2N4O.2C24H30ClFN4O/c1-23-28(14-13-24-9-8-12-26(21-24)25-10-4-2-5-11-25)31-22-32-29(23)30(35)34-19-15-27(16-20-34)33-17-6-3-7-18-33;1-23-27(11-10-24-12-18-33(19-13-24)25-8-4-2-5-9-25)30-22-31-28(23)29(35)34-20-14-26(15-21-34)32-16-6-3-7-17-32;1-22-26(10-8-9-23-11-13-24(14-12-23)29(2,3)4)30-21-31-27(22)28(34)33-19-15-25(16-20-33)32-17-6-5-7-18-32;1-17-22(8-6-18-5-7-20(21(26)15-18)25(27,28)29)30-16-31-23(17)24(34)33-13-9-19(10-14-33)32-11-3-2-4-12-32;1-18-23(7-5-6-19-8-9-21(26)22(27)16-19)28-17-29-24(18)25(32)31-14-10-20(11-15-31)30-12-3-2-4-13-30;1-17-22(8-6-18-5-7-21(26)20(25)15-18)27-16-28-23(17)24(31)30-13-9-19(10-14-30)29-11-3-2-4-12-29;1-17-22(8-6-18-5-7-20(25)21(26)15-18)27-16-28-23(17)24(31)30-13-9-19(10-14-30)29-11-3-2-4-12-29/h2,4-5,10-11,22,24,26-27H,3,6-9,12-21H2,1H3;2,4-5,8-9,22,24,26H,3,6-7,10-21H2,1H3;11-14,21,25H,5-10,15-20H2,1-4H3;5,7,15-16,19H,2-4,6,8-14H2,1H3;8-9,16-17,20H,2-7,10-15H2,1H3;2*5,7,15-16,19H,2-4,6,8-14H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 3240.56 g/mol, XLogP of 34.42, 39 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158835075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).