(3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide

C162H195F18N13O22S3 — CID 158057419

IUPAC(3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
SMILESCc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)C(C)(C)C)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)CO)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)c3ccccn3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(=O)(=O)C3CC3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(C)(=O)=O)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(C)(=O)=O)(C(N)=O)CN2)cc(C(F)(F)F)c1
InChIInChI=1S/C30H32F3N3O3.C29H37F3N2O3.C27H33F3N2O4S.C26H31F3N2O4.2C25H31F3N2O4S/c1-20-14-22(16-24(15-20)30(31,32)33)21(2)39-19-29(23-8-4-3-5-9-23)12-11-28(18-36-29,27(34)38)17-26(37)25-10-6-7-13-35-25;1-19-13-21(15-23(14-19)29(30,31)32)20(2)37-18-28(22-9-7-6-8-10-22)12-11-27(17-34-28,25(33)36)16-24(35)26(3,4)5;1-18-12-20(14-22(13-18)27(28,29)30)19(2)36-16-26(21-6-4-3-5-7-21)11-10-25(15-32-26,24(31)33)17-37(34,35)23-8-9-23;1-17-10-19(12-21(11-17)26(27,28)29)18(2)35-16-25(20-6-4-3-5-7-20)9-8-24(15-31-25,23(30)34)13-22(33)14-32;2*1-17-11-19(13-21(12-17)25(26,27)28)18(2)34-15-24(20-7-5-4-6-8-20)10-9-23(14-30-24,22(29)31)16-35(3,32)33/h3-10,13-16,21,36H,11-12,17-19H2,1-2H3,(H2,34,38);6-10,13-15,20,34H,11-12,16-18H2,1-5H3,(H2,33,36);3-7,12-14,19,23,32H,8-11,15-17H2,1-2H3,(H2,31,33);3-7,10-12,18,31-32H,8-9,13-16H2,1-2H3,(H2,30,34);2*4-8,11-13,18,30H,9-10,14-16H2,1-3H3,(H2,29,31)/t21-,28+,29-;20-,27+,28-;19-,25-,26-;18-,24+,25-;2*18-,23-,24-/m111111/s1
InChIKeyFKFNBNOTDKTKCX-CDYQATTFSA-N
MW3114.58 g/mol
LogP27.34
Rot. Bonds51

About (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide

(3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide (PubChem CID 158057419) has the molecular formula C162H195F18N13O22S3 and a molecular weight of 3114.58 g/mol. Its IUPAC name is (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
PubChem CID158057419
Molecular FormulaC162H195F18N13O22S3
Molecular Weight3114.58 g/mol
Exact Mass3112.34
IUPAC Name(3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
SMILESCc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)C(C)(C)C)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)CO)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)c3ccccn3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(=O)(=O)C3CC3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(C)(=O)=O)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(C)(=O)=O)(C(N)=O)CN2)cc(C(F)(F)F)c1
InChIInChI=1S/C30H32F3N3O3.C29H37F3N2O3.C27H33F3N2O4S.C26H31F3N2O4.2C25H31F3N2O4S/c1-20-14-22(16-24(15-20)30(31,32)33)21(2)39-19-29(23-8-4-3-5-9-23)12-11-28(18-36-29,27(34)38)17-26(37)25-10-6-7-13-35-25;1-19-13-21(15-23(14-19)29(30,31)32)20(2)37-18-28(22-9-7-6-8-10-22)12-11-27(17-34-28,25(33)36)16-24(35)26(3,4)5;1-18-12-20(14-22(13-18)27(28,29)30)19(2)36-16-26(21-6-4-3-5-7-21)11-10-25(15-32-26,24(31)33)17-37(34,35)23-8-9-23;1-17-10-19(12-21(11-17)26(27,28)29)18(2)35-16-25(20-6-4-3-5-7-20)9-8-24(15-31-25,23(30)34)13-22(33)14-32;2*1-17-11-19(13-21(12-17)25(26,27)28)18(2)34-15-24(20-7-5-4-6-8-20)10-9-23(14-30-24,22(29)31)16-35(3,32)33/h3-10,13-16,21,36H,11-12,17-19H2,1-2H3,(H2,34,38);6-10,13-15,20,34H,11-12,16-18H2,1-5H3,(H2,33,36);3-7,12-14,19,23,32H,8-11,15-17H2,1-2H3,(H2,31,33);3-7,10-12,18,31-32H,8-9,13-16H2,1-2H3,(H2,30,34);2*4-8,11-13,18,30H,9-10,14-16H2,1-3H3,(H2,29,31)/t21-,28+,29-;20-,27+,28-;19-,25-,26-;18-,24+,25-;2*18-,23-,24-/m111111/s1
InChIKeyFKFNBNOTDKTKCX-CDYQATTFSA-N
XLogP27.34
TPSA572.85 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds51
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003114.58
LogP ≤ 527.34
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide with MolForge

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Related Compounds

2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
CID 123528465
2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;(3S,6S)-3-(carbamoylamino)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
CID 160715548

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide (CID 158057419) is (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide is Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)C(C)(C)C)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)CO)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)c3ccccn3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(=O)(=O)C3CC3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(C)(=O)=O)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CS(C)(=O)=O)(C(N)=O)CN2)cc(C(F)(F)F)c1.
What is the InChIKey of (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide?
The InChIKey is FKFNBNOTDKTKCX-CDYQATTFSA-N. The full InChI is InChI=1S/C30H32F3N3O3.C29H37F3N2O3.C27H33F3N2O4S.C26H31F3N2O4.2C25H31F3N2O4S/c1-20-14-22(16-24(15-20)30(31,32)33)21(2)39-19-29(23-8-4-3-5-9-23)12-11-28(18-36-29,27(34)38)17-26(37)25-10-6-7-13-35-25;1-19-13-21(15-23(14-19)29(30,31)32)20(2)37-18-28(22-9-7-6-8-10-22)12-11-27(17-34-28,25(33)36)16-24(35)26(3,4)5;1-18-12-20(14-22(13-18)27(28,29)30)19(2)36-16-26(21-6-4-3-5-7-21)11-10-25(15-32-26,24(31)33)17-37(34,35)23-8-9-23;1-17-10-19(12-21(11-17)26(27,28)29)18(2)35-16-25(20-6-4-3-5-7-20)9-8-24(15-31-25,23(30)34)13-22(33)14-32;2*1-17-11-19(13-21(12-17)25(26,27)28)18(2)34-15-24(20-7-5-4-6-8-20)10-9-23(14-30-24,22(29)31)16-35(3,32)33/h3-10,13-16,21,36H,11-12,17-19H2,1-2H3,(H2,34,38);6-10,13-15,20,34H,11-12,16-18H2,1-5H3,(H2,33,36);3-7,12-14,19,23,32H,8-11,15-17H2,1-2H3,(H2,31,33);3-7,10-12,18,31-32H,8-9,13-16H2,1-2H3,(H2,30,34);2*4-8,11-13,18,30H,9-10,14-16H2,1-3H3,(H2,29,31)/t21-,28+,29-;20-,27+,28-;19-,25-,26-;18-,24+,25-;2*18-,23-,24-/m111111/s1.
What are the key properties of (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide?
(3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide has a molecular weight of 3114.58 g/mol, XLogP of 27.34, 51 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 158057419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).