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

C128H188F13N7O19S6 — CID 160778448

IUPAC1-[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
SMILESCC1CC(C)CC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)C1.CC1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C(C)CC1CS(=O)(=O)C(C)(C)C.CCOc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F.CCc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1C.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1F
InChIInChI=1S/C26H41NO3S.C21H30F3NO4S.2C21H30F3NO3S.C20H29F3N2O3S.C19H28FNO3S/c1-19-14-20(2)16-24(15-19)23-8-6-21(7-9-23)17-25(28)27-12-10-22(11-13-27)18-31(29,30)26(3,4)5;1-5-29-18-12-16(6-7-17(18)21(22,23)24)13-19(26)25-10-8-15(9-11-25)14-30(27,28)20(2,3)4;1-14-12-25(15(2)10-17(14)13-29(27,28)20(3,4)5)19(26)11-16-6-8-18(9-7-16)21(22,23)24;1-5-17-12-16(6-7-18(17)21(22,23)24)13-19(26)25-10-8-15(9-11-25)14-29(27,28)20(2,3)4;1-13-14(2)17(24-11-16(13)20(21,22)23)10-18(26)25-8-6-15(7-9-25)12-29(27,28)19(3,4)5;1-14-11-16(5-6-17(14)20)12-18(22)21-9-7-15(8-10-21)13-25(23,24)19(2,3)4/h6-9,19-20,22,24H,10-18H2,1-5H3;6-7,12,15H,5,8-11,13-14H2,1-4H3;6-9,14-15,17H,10-13H2,1-5H3;6-7,12,15H,5,8-11,13-14H2,1-4H3;11,15H,6-10,12H2,1-5H3;5-6,11,15H,7-10,12-13H2,1-4H3
InChIKeySAGJSRNKEGTXDU-UHFFFAOYSA-N
MW2568.32 g/mol
LogP24.76
Rot. Bonds28

About 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

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 (PubChem CID 160778448) has the molecular formula C128H188F13N7O19S6 and a molecular weight of 2568.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID160778448
Molecular FormulaC128H188F13N7O19S6
Molecular Weight2568.32 g/mol
Exact Mass2566.21
IUPAC Name1-[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
SMILESCC1CC(C)CC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)C1.CC1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C(C)CC1CS(=O)(=O)C(C)(C)C.CCOc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F.CCc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1C.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1F
InChIInChI=1S/C26H41NO3S.C21H30F3NO4S.2C21H30F3NO3S.C20H29F3N2O3S.C19H28FNO3S/c1-19-14-20(2)16-24(15-19)23-8-6-21(7-9-23)17-25(28)27-12-10-22(11-13-27)18-31(29,30)26(3,4)5;1-5-29-18-12-16(6-7-17(18)21(22,23)24)13-19(26)25-10-8-15(9-11-25)14-30(27,28)20(2,3)4;1-14-12-25(15(2)10-17(14)13-29(27,28)20(3,4)5)19(26)11-16-6-8-18(9-7-16)21(22,23)24;1-5-17-12-16(6-7-18(17)21(22,23)24)13-19(26)25-10-8-15(9-11-25)14-29(27,28)20(2,3)4;1-13-14(2)17(24-11-16(13)20(21,22)23)10-18(26)25-8-6-15(7-9-25)12-29(27,28)19(3,4)5;1-14-11-16(5-6-17(14)20)12-18(22)21-9-7-15(8-10-21)13-25(23,24)19(2,3)4/h6-9,19-20,22,24H,10-18H2,1-5H3;6-7,12,15H,5,8-11,13-14H2,1-4H3;6-9,14-15,17H,10-13H2,1-5H3;6-7,12,15H,5,8-11,13-14H2,1-4H3;11,15H,6-10,12H2,1-5H3;5-6,11,15H,7-10,12-13H2,1-4H3
InChIKeySAGJSRNKEGTXDU-UHFFFAOYSA-N
XLogP24.76
TPSA348.82 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002568.32
LogP ≤ 524.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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-[2-[4-(3,5-Dimethylcyclohexyl)phenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;1,4-dimethyl-2-(propan-2-ylsulfonylmethyl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-[2-(4-fluorophenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 159752888
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-methylphenyl)ethyl]benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethoxy)benzene;tetrakis(propane-2-sulfinate);1,2,4-trimethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 161537397
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
[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 157169521
[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 158894963

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(C)CC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)C1.CC1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C(C)CC1CS(=O)(=O)C(C)(C)C.CCOc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F.CCc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1C.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc1F.
What is the InChIKey of 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?
The InChIKey is SAGJSRNKEGTXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO3S.C21H30F3NO4S.2C21H30F3NO3S.C20H29F3N2O3S.C19H28FNO3S/c1-19-14-20(2)16-24(15-19)23-8-6-21(7-9-23)17-25(28)27-12-10-22(11-13-27)18-31(29,30)26(3,4)5;1-5-29-18-12-16(6-7-17(18)21(22,23)24)13-19(26)25-10-8-15(9-11-25)14-30(27,28)20(2,3)4;1-14-12-25(15(2)10-17(14)13-29(27,28)20(3,4)5)19(26)11-16-6-8-18(9-7-16)21(22,23)24;1-5-17-12-16(6-7-18(17)21(22,23)24)13-19(26)25-10-8-15(9-11-25)14-29(27,28)20(2,3)4;1-13-14(2)17(24-11-16(13)20(21,22)23)10-18(26)25-8-6-15(7-9-25)12-29(27,28)19(3,4)5;1-14-11-16(5-6-17(14)20)12-18(22)21-9-7-15(8-10-21)13-25(23,24)19(2,3)4/h6-9,19-20,22,24H,10-18H2,1-5H3;6-7,12,15H,5,8-11,13-14H2,1-4H3;6-9,14-15,17H,10-13H2,1-5H3;6-7,12,15H,5,8-11,13-14H2,1-4H3;11,15H,6-10,12H2,1-5H3;5-6,11,15H,7-10,12-13H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2568.32 g/mol, XLogP of 24.76, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160778448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).