1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

C129H182F4N6O22S6 — CID 159644630

IUPAC1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCOCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(F)cc2)CC1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C24H27NO5S.C24H37NO3S.C23H35NO5S.C23H35NO3S.C18H24F3NO3S.C17H24FNO3S/c1-17(2)31(29,30)14-8-4-7-11-20(26)15-18-12-13-21-22(16-18)24(28)25(23(21)27)19-9-5-3-6-10-19;1-24(2,3)29(27,28)18-20-13-15-25(16-14-20)23(26)17-19-9-11-22(12-10-19)21-7-5-4-6-8-21;1-23(2,3)30(26,27)17-19-8-12-24(13-9-19)22(25)16-18-4-6-20(7-5-18)29-21-10-14-28-15-11-21;1-18(2)28(26,27)17-20-12-14-24(15-13-20)23(25)16-19-8-10-22(11-9-19)21-6-4-3-5-7-21;1-13(2)26(24,25)12-15-7-9-22(10-8-15)17(23)11-14-3-5-16(6-4-14)18(19,20)21;1-13(2)23(21,22)12-15-7-9-19(10-8-15)17(20)11-14-3-5-16(18)6-4-14/h3,5-6,9-10,12-13,16-17H,4,7-8,11,14-15H2,1-2H3;9-12,20-21H,4-8,13-18H2,1-3H3;4-7,19,21H,8-17H2,1-3H3;8-11,18,20-21H,3-7,12-17H2,1-2H3;3-6,13,15H,7-12H2,1-2H3;3-6,13,15H,7-12H2,1-2H3
InChIKeyMQUKOSJFYCJQNT-UHFFFAOYSA-N
MW2437.29 g/mol
LogP22.03
Rot. Bonds37

About 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 159644630) has the molecular formula C129H182F4N6O22S6 and a molecular weight of 2437.29 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID159644630
Molecular FormulaC129H182F4N6O22S6
Molecular Weight2437.29 g/mol
Exact Mass2435.16
IUPAC Name1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCOCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(F)cc2)CC1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C24H27NO5S.C24H37NO3S.C23H35NO5S.C23H35NO3S.C18H24F3NO3S.C17H24FNO3S/c1-17(2)31(29,30)14-8-4-7-11-20(26)15-18-12-13-21-22(16-18)24(28)25(23(21)27)19-9-5-3-6-10-19;1-24(2,3)29(27,28)18-20-13-15-25(16-14-20)23(26)17-19-9-11-22(12-10-19)21-7-5-4-6-8-21;1-23(2,3)30(26,27)17-19-8-12-24(13-9-19)22(25)16-18-4-6-20(7-5-18)29-21-10-14-28-15-11-21;1-18(2)28(26,27)17-20-12-14-24(15-13-20)23(25)16-19-8-10-22(11-9-19)21-6-4-3-5-7-21;1-13(2)26(24,25)12-15-7-9-22(10-8-15)17(23)11-14-3-5-16(6-4-14)18(19,20)21;1-13(2)23(21,22)12-15-7-9-19(10-8-15)17(20)11-14-3-5-16(18)6-4-14/h3,5-6,9-10,12-13,16-17H,4,7-8,11,14-15H2,1-2H3;9-12,20-21H,4-8,13-18H2,1-3H3;4-7,19,21H,8-17H2,1-3H3;8-11,18,20-21H,3-7,12-17H2,1-2H3;3-6,13,15H,7-12H2,1-2H3;3-6,13,15H,7-12H2,1-2H3
InChIKeyMQUKOSJFYCJQNT-UHFFFAOYSA-N
XLogP22.03
TPSA379.30 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds37
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002437.29
LogP ≤ 522.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

1-[4-(Tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(2,3-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;2-(3-morpholin-4-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzonitrile
CID 158135202
2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-(2-phenylethyl)benzene;4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;bis(2-methylpropane-2-sulfinate);tetrakis(propane-2-sulfinate);4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzonitrile
CID 158180718
1-(2,3-Dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;tris(propane-2-sulfinate)
CID 158500118
1-(2,3-Dimethylcyclohexyl)-4-(7-propan-2-ylsulfonylheptyl)benzene;2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenoxy]oxane;1-fluoro-4-(7-propan-2-ylsulfonylheptyl)-2-(trifluoromethoxy)benzene;2-methoxy-4-(7-propan-2-ylsulfonylheptyl)-1-(trifluoromethyl)benzene;5-(7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 158510832
1-(7-Tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
CID 159097243
1-[4-(Tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 159838230
7-tert-butylsulfonyl-1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(3-morpholin-4-ylphenyl)heptan-2-one;4-(7-tert-butylsulfonyl-2-oxoheptyl)benzonitrile;7-tert-butylsulfonyl-1-phenylheptan-2-one;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 159891781
1-[4-(2,3-Dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
CID 159931654
1-[4-(Tert-butylsulfonylmethyl)phenyl]-2-[4-(2,3-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;2-(3-morpholin-4-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzonitrile
CID 160258666
7-tert-butylsulfonyl-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]heptan-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-ethylphenyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-methylphenyl)-7-propan-2-ylsulfonylheptan-2-one;1-(3-morpholin-4-ylphenyl)-7-propan-2-ylsulfonylheptan-2-one;4-(2-oxo-7-propan-2-ylsulfonylheptyl)benzonitrile;1-phenyl-7-propan-2-ylsulfonylheptan-2-one
CID 160781069
4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]benzonitrile;2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;(2S,6R)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-(2-phenylethyl)benzene;4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;hexakis(2-methylpropane-2-sulfinate)
CID 160795327
2-[4-(2,3-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 160822457

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 159644630) is 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCOCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(F)cc2)CC1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MQUKOSJFYCJQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5S.C24H37NO3S.C23H35NO5S.C23H35NO3S.C18H24F3NO3S.C17H24FNO3S/c1-17(2)31(29,30)14-8-4-7-11-20(26)15-18-12-13-21-22(16-18)24(28)25(23(21)27)19-9-5-3-6-10-19;1-24(2,3)29(27,28)18-20-13-15-25(16-14-20)23(26)17-19-9-11-22(12-10-19)21-7-5-4-6-8-21;1-23(2,3)30(26,27)17-19-8-12-24(13-9-19)22(25)16-18-4-6-20(7-5-18)29-21-10-14-28-15-11-21;1-18(2)28(26,27)17-20-12-14-24(15-13-20)23(25)16-19-8-10-22(11-9-19)21-6-4-3-5-7-21;1-13(2)26(24,25)12-15-7-9-22(10-8-15)17(23)11-14-3-5-16(6-4-14)18(19,20)21;1-13(2)23(21,22)12-15-7-9-19(10-8-15)17(20)11-14-3-5-16(18)6-4-14/h3,5-6,9-10,12-13,16-17H,4,7-8,11,14-15H2,1-2H3;9-12,20-21H,4-8,13-18H2,1-3H3;4-7,19,21H,8-17H2,1-3H3;8-11,18,20-21H,3-7,12-17H2,1-2H3;3-6,13,15H,7-12H2,1-2H3;3-6,13,15H,7-12H2,1-2H3.
What are the key properties of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2437.29 g/mol, XLogP of 22.03, 37 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159644630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).