(3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one

C150H172F21N17O14 — CID 158842314

IUPAC(3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCNC(=O)[C@]1(N)CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(=O)NC3CC3)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(=O)NCC(F)(F)F)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](n3cn[nH]c3=O)CN2)cc(C(F)(F)F)c1.[C-]#[N+]c1cccnc1NC1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1
InChIInChI=1S/C28H29F3N4O.C26H31F3N2O3.C25H28F6N2O3.C24H27F3N4O2.C24H30F3N3O2.C23H27F3N2O3/c1-19-14-21(16-23(15-19)28(29,30)31)20(2)36-18-27(22-8-5-4-6-9-22)12-11-24(17-34-27)35-26-25(32-3)10-7-13-33-26;1-17-12-19(14-21(13-17)26(27,28)29)18(2)34-16-24(20-6-4-3-5-7-20)10-11-25(33,15-30-24)23(32)31-22-8-9-22;1-16-10-18(12-20(11-16)25(29,30)31)17(2)36-15-22(19-6-4-3-5-7-19)8-9-23(35,13-33-22)21(34)32-14-24(26,27)28;1-16-10-18(12-20(11-16)24(25,26)27)17(2)33-14-23(19-6-4-3-5-7-19)9-8-21(13-28-23)31-15-29-30-22(31)32;1-16-11-18(13-20(12-16)24(25,26)27)17(2)32-15-23(19-7-5-4-6-8-19)10-9-22(28,14-30-23)21(31)29-3;1-15-10-17(12-19(11-15)23(24,25)26)16(2)31-14-21(18-6-4-3-5-7-18)8-9-22(30,13-28-21)20(27)29/h4-10,13-16,20,24,34H,11-12,17-18H2,1-2H3,(H,33,35);3-7,12-14,18,22,30,33H,8-11,15-16H2,1-2H3,(H,31,32);3-7,10-12,17,33,35H,8-9,13-15H2,1-2H3,(H,32,34);3-7,10-12,15,17,21,28H,8-9,13-14H2,1-2H3,(H,30,32);4-8,11-13,17,30H,9-10,14-15,28H2,1-3H3,(H,29,31);3-7,10-12,16,28,30H,8-9,13-14H2,1-2H3,(H2,27,29)/t20-,24?,27-;18-,24-,25?;17-,22-,23?;17-,21+,23-;17-,22+,23-;16-,21-,22?/m111111/s1
InChIKeyIYJZFCMUDYLTOA-YLPDEVCKSA-N
MW2836.09 g/mol
LogP27.85
Rot. Bonds39

About (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one

(3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one (PubChem CID 158842314) has the molecular formula C150H172F21N17O14 and a molecular weight of 2836.09 g/mol. Its IUPAC name is (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name(3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one
PubChem CID158842314
Molecular FormulaC150H172F21N17O14
Molecular Weight2836.09 g/mol
Exact Mass2834.29
IUPAC Name(3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCNC(=O)[C@]1(N)CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(=O)NC3CC3)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(=O)NCC(F)(F)F)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](n3cn[nH]c3=O)CN2)cc(C(F)(F)F)c1.[C-]#[N+]c1cccnc1NC1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1
InChIInChI=1S/C28H29F3N4O.C26H31F3N2O3.C25H28F6N2O3.C24H27F3N4O2.C24H30F3N3O2.C23H27F3N2O3/c1-19-14-21(16-23(15-19)28(29,30)31)20(2)36-18-27(22-8-5-4-6-9-22)12-11-24(17-34-27)35-26-25(32-3)10-7-13-33-26;1-17-12-19(14-21(13-17)26(27,28)29)18(2)34-16-24(20-6-4-3-5-7-20)10-11-25(33,15-30-24)23(32)31-22-8-9-22;1-16-10-18(12-20(11-16)25(29,30)31)17(2)36-15-22(19-6-4-3-5-7-19)8-9-23(35,13-33-22)21(34)32-14-24(26,27)28;1-16-10-18(12-20(11-16)24(25,26)27)17(2)33-14-23(19-6-4-3-5-7-19)9-8-21(13-28-23)31-15-29-30-22(31)32;1-16-11-18(13-20(12-16)24(25,26)27)17(2)32-15-23(19-7-5-4-6-8-19)10-9-22(28,14-30-23)21(31)29-3;1-15-10-17(12-19(11-15)23(24,25)26)16(2)31-14-21(18-6-4-3-5-7-18)8-9-22(30,13-28-21)20(27)29/h4-10,13-16,20,24,34H,11-12,17-18H2,1-2H3,(H,33,35);3-7,12-14,18,22,30,33H,8-11,15-16H2,1-2H3,(H,31,32);3-7,10-12,17,33,35H,8-9,13-15H2,1-2H3,(H,32,34);3-7,10-12,15,17,21,28H,8-9,13-14H2,1-2H3,(H,30,32);4-8,11-13,17,30H,9-10,14-15,28H2,1-3H3,(H,29,31);3-7,10-12,16,28,30H,8-9,13-14H2,1-2H3,(H2,27,29)/t20-,24?,27-;18-,24-,25?;17-,22-,23?;17-,21+,23-;17-,22+,23-;16-,21-,22?/m111111/s1
InChIKeyIYJZFCMUDYLTOA-YLPDEVCKSA-N
XLogP27.85
TPSA424.62 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002836.09
LogP ≤ 527.85
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

(3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
CID 159124356
(6S)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-ol;1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]ethanone;(NE)-N-[1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]ethylidene]hydroxylamine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine
CID 172987042

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one (CID 158842314) is (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one is CNC(=O)[C@]1(N)CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(=O)NC3CC3)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(=O)NCC(F)(F)F)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(O)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](n3cn[nH]c3=O)CN2)cc(C(F)(F)F)c1.[C-]#[N+]c1cccnc1NC1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.
What is the InChIKey of (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is IYJZFCMUDYLTOA-YLPDEVCKSA-N. The full InChI is InChI=1S/C28H29F3N4O.C26H31F3N2O3.C25H28F6N2O3.C24H27F3N4O2.C24H30F3N3O2.C23H27F3N2O3/c1-19-14-21(16-23(15-19)28(29,30)31)20(2)36-18-27(22-8-5-4-6-9-22)12-11-24(17-34-27)35-26-25(32-3)10-7-13-33-26;1-17-12-19(14-21(13-17)26(27,28)29)18(2)34-16-24(20-6-4-3-5-7-20)10-11-25(33,15-30-24)23(32)31-22-8-9-22;1-16-10-18(12-20(11-16)25(29,30)31)17(2)36-15-22(19-6-4-3-5-7-19)8-9-23(35,13-33-22)21(34)32-14-24(26,27)28;1-16-10-18(12-20(11-16)24(25,26)27)17(2)33-14-23(19-6-4-3-5-7-19)9-8-21(13-28-23)31-15-29-30-22(31)32;1-16-11-18(13-20(12-16)24(25,26)27)17(2)32-15-23(19-7-5-4-6-8-19)10-9-22(28,14-30-23)21(31)29-3;1-15-10-17(12-19(11-15)23(24,25)26)16(2)31-14-21(18-6-4-3-5-7-18)8-9-22(30,13-28-21)20(27)29/h4-10,13-16,20,24,34H,11-12,17-18H2,1-2H3,(H,33,35);3-7,12-14,18,22,30,33H,8-11,15-16H2,1-2H3,(H,31,32);3-7,10-12,17,33,35H,8-9,13-15H2,1-2H3,(H,32,34);3-7,10-12,15,17,21,28H,8-9,13-14H2,1-2H3,(H,30,32);4-8,11-13,17,30H,9-10,14-15,28H2,1-3H3,(H,29,31);3-7,10-12,16,28,30H,8-9,13-14H2,1-2H3,(H2,27,29)/t20-,24?,27-;18-,24-,25?;17-,22-,23?;17-,21+,23-;17-,22+,23-;16-,21-,22?/m111111/s1.
What are the key properties of (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one?
(3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 2836.09 g/mol, XLogP of 27.85, 39 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-amino-N-methyl-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-N-cyclopropyl-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(6S)-3-hydroxy-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;3-isocyano-N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;4-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 158842314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).