2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

C121H174F13N7O19S6 — CID 159172816

IUPAC2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
SMILESCC1CC(C)CC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1.CC1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C(C)CC1CS(=O)(=O)C(C)C.CCc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.COc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)c1C.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1F
InChIInChI=1S/C25H39NO3S.2C20H28F3NO3S.C19H27F3N2O3S.C19H26F3NO4S.C18H26FNO3S/c1-18(2)30(28,29)17-22-9-11-26(12-10-22)25(27)16-21-5-7-23(8-6-21)24-14-19(3)13-20(4)15-24;1-13(2)28(26,27)12-17-9-15(4)24(11-14(17)3)19(25)10-16-5-7-18(8-6-16)20(21,22)23;1-4-17-11-16(5-6-18(17)20(21,22)23)12-19(25)24-9-7-15(8-10-24)13-28(26,27)14(2)3;1-12(2)28(26,27)11-15-5-7-24(8-6-15)18(25)9-17-14(4)13(3)16(10-23-17)19(20,21)22;1-13(2)28(25,26)12-14-6-8-23(9-7-14)18(24)11-15-4-5-16(19(20,21)22)17(10-15)27-3;1-13(2)24(22,23)12-15-6-8-20(9-7-15)18(21)11-16-4-5-17(19)14(3)10-16/h5-8,18-20,22,24H,9-17H2,1-4H3;5-8,13-15,17H,9-12H2,1-4H3;5-6,11,14-15H,4,7-10,12-13H2,1-3H3;10,12,15H,5-9,11H2,1-4H3;4-5,10,13-14H,6-9,11-12H2,1-3H3;4-5,10,13,15H,6-9,11-12H2,1-3H3
InChIKeyKLXCZIABZJMQTN-UHFFFAOYSA-N
MW2470.13 g/mol
LogP22.03
Rot. Bonds33

About 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone (PubChem CID 159172816) has the molecular formula C121H174F13N7O19S6 and a molecular weight of 2470.13 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
PubChem CID159172816
Molecular FormulaC121H174F13N7O19S6
Molecular Weight2470.13 g/mol
Exact Mass2468.10
IUPAC Name2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
SMILESCC1CC(C)CC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1.CC1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C(C)CC1CS(=O)(=O)C(C)C.CCc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.COc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)c1C.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1F
InChIInChI=1S/C25H39NO3S.2C20H28F3NO3S.C19H27F3N2O3S.C19H26F3NO4S.C18H26FNO3S/c1-18(2)30(28,29)17-22-9-11-26(12-10-22)25(27)16-21-5-7-23(8-6-21)24-14-19(3)13-20(4)15-24;1-13(2)28(26,27)12-17-9-15(4)24(11-14(17)3)19(25)10-16-5-7-18(8-6-16)20(21,22)23;1-4-17-11-16(5-6-18(17)20(21,22)23)12-19(25)24-9-7-15(8-10-24)13-28(26,27)14(2)3;1-12(2)28(26,27)11-15-5-7-24(8-6-15)18(25)9-17-14(4)13(3)16(10-23-17)19(20,21)22;1-13(2)28(25,26)12-14-6-8-23(9-7-14)18(24)11-15-4-5-16(19(20,21)22)17(10-15)27-3;1-13(2)24(22,23)12-15-6-8-20(9-7-15)18(21)11-16-4-5-17(19)14(3)10-16/h5-8,18-20,22,24H,9-17H2,1-4H3;5-8,13-15,17H,9-12H2,1-4H3;5-6,11,14-15H,4,7-10,12-13H2,1-3H3;10,12,15H,5-9,11H2,1-4H3;4-5,10,13-14H,6-9,11-12H2,1-3H3;4-5,10,13,15H,6-9,11-12H2,1-3H3
InChIKeyKLXCZIABZJMQTN-UHFFFAOYSA-N
XLogP22.03
TPSA348.82 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002470.13
LogP ≤ 522.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(Tert-butylsulfonylmethyl)-2,5-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-fluoro-2-(trifluoromethoxy)benzene;1-(2,3-dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;1-(3,5-dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;2-ethoxy-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;tetrakis(2-methylpropane-2-sulfinate)
CID 157259791
2-[4-(3,5-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[3-ethoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 157758094
1-[4-(Tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone
CID 158549695
7-Tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
CID 159292174
1-[4-(Tert-butylsulfonylmethyl)-2,5-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone
CID 160778448
2-[4-(3,5-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 161211407
1-(3,5-dimethylcyclohexyl)-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-(trifluoromethoxy)benzene;2-methoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene
CID 161823167
1-(Tert-butylsulfonylmethyl)-4-[2-[4-(2,3-dimethylcyclohexyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-4-[2-[4-(3,5-dimethylcyclohexyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-2,5-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-4-[2-(4-fluorophenyl)ethyl]benzene;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethoxy-1-(trifluoromethyl)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-fluoro-2-(trifluoromethoxy)benzene
CID 162214713

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone (CID 159172816) is 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone is CC1CC(C)CC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1.CC1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C(C)CC1CS(=O)(=O)C(C)C.CCc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.COc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)c1C.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)ccc1F.
What is the InChIKey of 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
The InChIKey is KLXCZIABZJMQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO3S.2C20H28F3NO3S.C19H27F3N2O3S.C19H26F3NO4S.C18H26FNO3S/c1-18(2)30(28,29)17-22-9-11-26(12-10-22)25(27)16-21-5-7-23(8-6-21)24-14-19(3)13-20(4)15-24;1-13(2)28(26,27)12-17-9-15(4)24(11-14(17)3)19(25)10-16-5-7-18(8-6-16)20(21,22)23;1-4-17-11-16(5-6-18(17)20(21,22)23)12-19(25)24-9-7-15(8-10-24)13-28(26,27)14(2)3;1-12(2)28(26,27)11-15-5-7-24(8-6-15)18(25)9-17-14(4)13(3)16(10-23-17)19(20,21)22;1-13(2)28(25,26)12-14-6-8-23(9-7-14)18(24)11-15-4-5-16(19(20,21)22)17(10-15)27-3;1-13(2)24(22,23)12-15-6-8-20(9-7-15)18(21)11-16-4-5-17(19)14(3)10-16/h5-8,18-20,22,24H,9-17H2,1-4H3;5-8,13-15,17H,9-12H2,1-4H3;5-6,11,14-15H,4,7-10,12-13H2,1-3H3;10,12,15H,5-9,11H2,1-4H3;4-5,10,13-14H,6-9,11-12H2,1-3H3;4-5,10,13,15H,6-9,11-12H2,1-3H3.
What are the key properties of 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone?
2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone has a molecular weight of 2470.13 g/mol, XLogP of 22.03, 33 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 159172816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).