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

C136H190F7N9O24S6 — CID 158135202

About 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

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 (PubChem CID 158135202) has the molecular formula C136H190F7N9O24S6 and a molecular weight of 2660.44 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158135202
• Molecular Formula: C136H190F7N9O24S6
• Molecular Weight: 2660.44 g/mol
• Exact Mass: 2658.21
• IUPAC Name: 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
• SMILES: CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C#N)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(N3CCOCC3)c2)CC1.CC1CC(Oc2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)CC(C)O1.CC1CCCC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)C1C
• InChI: InChI=1S/C27H29F3N2O5S.C26H41NO3S.C25H39NO5S.C21H32N2O4S.C19H25F4NO4S.C18H24N2O3S/c1-26(2,3)38(36,37)16-17-10-12-31(13-11-17)23(33)15-18-4-9-21-22(14-18)25(35)32(24(21)34)20-7-5-19(6-8-20)27(28,29)30;1-19-7-6-8-24(20(19)2)23-11-9-21(10-12-23)17-25(28)27-15-13-22(14-16-27)18-31(29,30)26(3,4)5;1-18-14-23(15-19(2)30-18)31-22-8-6-20(7-9-22)16-24(27)26-12-10-21(11-13-26)17-32(28,29)25(3,4)5;1-17(2)28(25,26)16-18-6-8-23(9-7-18)21(24)15-19-4-3-5-20(14-19)22-10-12-27-13-11-22;1-18(2,3)29(26,27)12-13-6-8-24(9-7-13)17(25)11-14-4-5-15(20)16(10-14)28-19(21,22)23;1-14(2)24(22,23)13-17-7-9-20(10-8-17)18(21)11-15-3-5-16(12-19)6-4-15/h4-9,14,17H,10-13,15-16H2,1-3H3;9-12,19-20,22,24H,6-8,13-18H2,1-5H3;6-9,18-19,21,23H,10-17H2,1-5H3;3-5,14,17-18H,6-13,15-16H2,1-2H3;4-5,10,13H,6-9,11-12H2,1-3H3;3-6,14,17H,7-11,13H2,1-2H3
• InChIKey: FTGLFHDTPQWVST-UHFFFAOYSA-N
• XLogP: 21.75
• TPSA: 428.03 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.44
LogP ≤ 5	21.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C#N)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(N3CCOCC3)c2)CC1.CC1CC(Oc2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)CC(C)O1.CC1CCCC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)C1C.

What is the InChIKey of 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?

The InChIKey is FTGLFHDTPQWVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O5S.C26H41NO3S.C25H39NO5S.C21H32N2O4S.C19H25F4NO4S.C18H24N2O3S/c1-26(2,3)38(36,37)16-17-10-12-31(13-11-17)23(33)15-18-4-9-21-22(14-18)25(35)32(24(21)34)20-7-5-19(6-8-20)27(28,29)30;1-19-7-6-8-24(20(19)2)23-11-9-21(10-12-23)17-25(28)27-15-13-22(14-16-27)18-31(29,30)26(3,4)5;1-18-14-23(15-19(2)30-18)31-22-8-6-20(7-9-22)16-24(27)26-12-10-21(11-13-26)17-32(28,29)25(3,4)5;1-17(2)28(25,26)16-18-6-8-23(9-7-18)21(24)15-19-4-3-5-20(14-19)22-10-12-27-13-11-22;1-18(2,3)29(26,27)12-13-6-8-24(9-7-13)17(25)11-14-4-5-15(20)16(10-14)28-19(21,22)23;1-14(2)24(22,23)13-17-7-9-20(10-8-17)18(21)11-15-3-5-16(12-19)6-4-15/h4-9,14,17H,10-13,15-16H2,1-3H3;9-12,19-20,22,24H,6-8,13-18H2,1-5H3;6-9,18-19,21,23H,10-17H2,1-5H3;3-5,14,17-18H,6-13,15-16H2,1-2H3;4-5,10,13H,6-9,11-12H2,1-3H3;3-6,14,17H,7-11,13H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 2660.44 g/mol, XLogP of 21.75, 32 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158135202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).