(2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid

C199H250F20N16O18 — CID 159203596

IUPAC(2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid
SMILESCC(C)[C@]1(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cc(F)cc(F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(Cc3ccccc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(N)=O)c3)CC2)CO1.COc1cc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cccc(C(F)(F)F)c4)(C(C)C)OC3)CC2)ccn1.Cc1cccc(CNC(=O)[C@@]2(C(C)C)CC[C@@H](N3CCC(c4ccc(F)cc4)CC3)CO2)c1
InChIInChI=1S/C29H36F4N2O2.C29H36F3N3O3.C29H35F3N2O4.C29H37F3N2O2.C28H36F3N3O3.C28H37FN2O2.C27H33F3N2O2/c1-20(2)28(27(36)34(3)18-21-5-4-6-24(17-21)29(31,32)33)14-11-26(19-37-28)35-15-12-23(13-16-35)22-7-9-25(30)10-8-22;1-19(2)28(27(37)34-17-20-5-3-8-24(15-20)29(30,31)32)12-9-25(18-38-28)35-13-10-21(11-14-35)22-6-4-7-23(16-22)26(33)36;1-19(2)28(27(37)33-17-20-5-3-8-24(15-20)29(30,31)32)12-9-25(18-38-28)34-13-10-21(11-14-34)22-6-4-7-23(16-22)26(35)36;1-21(2)28(27(35)33-19-24-9-6-10-25(18-24)29(30,31)32)14-11-26(20-36-28)34-15-12-23(13-16-34)17-22-7-4-3-5-8-22;1-19(2)27(26(35)33-17-20-5-4-6-23(15-20)28(29,30)31)11-7-24(18-37-27)34-13-9-21(10-14-34)22-8-12-32-25(16-22)36-3;1-20(2)28(27(32)30-18-22-6-4-5-21(3)17-22)14-11-26(19-33-28)31-15-12-24(13-16-31)23-7-9-25(29)10-8-23;1-18(2)27(26(33)31-16-19-13-23(29)15-24(30)14-19)10-7-25(17-34-27)32-11-8-21(9-12-32)20-3-5-22(28)6-4-20/h4-10,17,20,23,26H,11-16,18-19H2,1-3H3;3-8,15-16,19,21,25H,9-14,17-18H2,1-2H3,(H2,33,36)(H,34,37);3-8,15-16,19,21,25H,9-14,17-18H2,1-2H3,(H,33,37)(H,35,36);3-10,18,21,23,26H,11-17,19-20H2,1-2H3,(H,33,35);4-6,8,12,15-16,19,21,24H,7,9-11,13-14,17-18H2,1-3H3,(H,33,35);4-10,17,20,24,26H,11-16,18-19H2,1-3H3,(H,30,32);3-6,13-15,18,21,25H,7-12,16-17H2,1-2H3,(H,31,33)/t26-,28+;2*25-,28+;26-,28+;24-,27+;26-,28+;25-,27+/m1111111/s1
InChIKeyKPPDIWXJYPPJTP-CXHZLPCKSA-N
MW3534.24 g/mol
LogP38.01
Rot. Bonds46

About (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid

(2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid (PubChem CID 159203596) has the molecular formula C199H250F20N16O18 and a molecular weight of 3534.24 g/mol. Its IUPAC name is (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid.

Molecular Properties

Compound Name(2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid
PubChem CID159203596
Molecular FormulaC199H250F20N16O18
Molecular Weight3534.24 g/mol
Exact Mass3531.88
IUPAC Name(2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid
SMILESCC(C)[C@]1(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cc(F)cc(F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(Cc3ccccc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(N)=O)c3)CC2)CO1.COc1cc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cccc(C(F)(F)F)c4)(C(C)C)OC3)CC2)ccn1.Cc1cccc(CNC(=O)[C@@]2(C(C)C)CC[C@@H](N3CCC(c4ccc(F)cc4)CC3)CO2)c1
InChIInChI=1S/C29H36F4N2O2.C29H36F3N3O3.C29H35F3N2O4.C29H37F3N2O2.C28H36F3N3O3.C28H37FN2O2.C27H33F3N2O2/c1-20(2)28(27(36)34(3)18-21-5-4-6-24(17-21)29(31,32)33)14-11-26(19-37-28)35-15-12-23(13-16-35)22-7-9-25(30)10-8-22;1-19(2)28(27(37)34-17-20-5-3-8-24(15-20)29(30,31)32)12-9-25(18-38-28)35-13-10-21(11-14-35)22-6-4-7-23(16-22)26(33)36;1-19(2)28(27(37)33-17-20-5-3-8-24(15-20)29(30,31)32)12-9-25(18-38-28)34-13-10-21(11-14-34)22-6-4-7-23(16-22)26(35)36;1-21(2)28(27(35)33-19-24-9-6-10-25(18-24)29(30,31)32)14-11-26(20-36-28)34-15-12-23(13-16-34)17-22-7-4-3-5-8-22;1-19(2)27(26(35)33-17-20-5-4-6-23(15-20)28(29,30)31)11-7-24(18-37-27)34-13-9-21(10-14-34)22-8-12-32-25(16-22)36-3;1-20(2)28(27(32)30-18-22-6-4-5-21(3)17-22)14-11-26(19-33-28)31-15-12-24(13-16-31)23-7-9-25(29)10-8-23;1-18(2)27(26(33)31-16-19-13-23(29)15-24(30)14-19)10-7-25(17-34-27)32-11-8-21(9-12-32)20-3-5-22(28)6-4-20/h4-10,17,20,23,26H,11-16,18-19H2,1-3H3;3-8,15-16,19,21,25H,9-14,17-18H2,1-2H3,(H2,33,36)(H,34,37);3-8,15-16,19,21,25H,9-14,17-18H2,1-2H3,(H,33,37)(H,35,36);3-10,18,21,23,26H,11-17,19-20H2,1-2H3,(H,33,35);4-6,8,12,15-16,19,21,24H,7,9-11,13-14,17-18H2,1-3H3,(H,33,35);4-10,17,20,24,26H,11-16,18-19H2,1-3H3,(H,30,32);3-6,13-15,18,21,25H,7-12,16-17H2,1-2H3,(H,31,33)/t26-,28+;2*25-,28+;26-,28+;24-,27+;26-,28+;25-,27+/m1111111/s1
InChIKeyKPPDIWXJYPPJTP-CXHZLPCKSA-N
XLogP38.01
TPSA384.71 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds46
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003534.24
LogP ≤ 538.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-(2-pyridin-4-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 21987176
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-methylbenzoate
CID 69321721
[3-Amino-4-(3,5-difluorophenyl)-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-methylbenzoate
CID 69321726
3-[2-[4-amino-1-[(2R,3S)-3-[4-(difluoromethyl)phenoxy]-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]phenyl]propanoic acid
CID 69935143
3-[2-[4-amino-1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]phenyl]propanoic acid
CID 88061437
CID 157445779
CID 157445779
(2S,5R)-5-[(3S,4R)-4-(3-carbamoylphenyl)-3-methylpiperidin-1-yl]-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;bis(5-[1-[(3R,6S)-6-cyclopropyl-6-[8-ethoxy-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid);3-[(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(2S)-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-(4-pyridin-4-ylpiperidin-1-yl)oxane-2-carboxamide
CID 157508770
[3-[4-(2-Methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone;4-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride
CID 157584656
ethyl 3-[[4-[[(2S)-3-methyl-1-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]butan-2-yl]amino]benzoyl]amino]propanoate;methane;3-[[4-[[(2S)-3-methyl-1-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]butan-2-yl]amino]benzoyl]amino]propanoic acid
CID 157643582
(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3-chlorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-N-[(3,5-dichlorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;[(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxan-2-yl]-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanone;2-fluoro-5-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide
CID 157681473
CID 157746401
CID 157746401
N-cyclopropyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-(1-methoxyethenyl)piperidin-4-yl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate
CID 158915943

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid?
The IUPAC name of (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid (CID 159203596) is (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid.
What is the SMILES notation for (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid?
The canonical SMILES for (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid is CC(C)[C@]1(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cc(F)cc(F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(Cc3ccccc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(N)=O)c3)CC2)CO1.COc1cc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cccc(C(F)(F)F)c4)(C(C)C)OC3)CC2)ccn1.Cc1cccc(CNC(=O)[C@@]2(C(C)C)CC[C@@H](N3CCC(c4ccc(F)cc4)CC3)CO2)c1.
What is the InChIKey of (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid?
The InChIKey is KPPDIWXJYPPJTP-CXHZLPCKSA-N. The full InChI is InChI=1S/C29H36F4N2O2.C29H36F3N3O3.C29H35F3N2O4.C29H37F3N2O2.C28H36F3N3O3.C28H37FN2O2.C27H33F3N2O2/c1-20(2)28(27(36)34(3)18-21-5-4-6-24(17-21)29(31,32)33)14-11-26(19-37-28)35-15-12-23(13-16-35)22-7-9-25(30)10-8-22;1-19(2)28(27(37)34-17-20-5-3-8-24(15-20)29(30,31)32)12-9-25(18-38-28)35-13-10-21(11-14-35)22-6-4-7-23(16-22)26(33)36;1-19(2)28(27(37)33-17-20-5-3-8-24(15-20)29(30,31)32)12-9-25(18-38-28)34-13-10-21(11-14-34)22-6-4-7-23(16-22)26(35)36;1-21(2)28(27(35)33-19-24-9-6-10-25(18-24)29(30,31)32)14-11-26(20-36-28)34-15-12-23(13-16-34)17-22-7-4-3-5-8-22;1-19(2)27(26(35)33-17-20-5-4-6-23(15-20)28(29,30)31)11-7-24(18-37-27)34-13-9-21(10-14-34)22-8-12-32-25(16-22)36-3;1-20(2)28(27(32)30-18-22-6-4-5-21(3)17-22)14-11-26(19-33-28)31-15-12-24(13-16-31)23-7-9-25(29)10-8-23;1-18(2)27(26(33)31-16-19-13-23(29)15-24(30)14-19)10-7-25(17-34-27)32-11-8-21(9-12-32)20-3-5-22(28)6-4-20/h4-10,17,20,23,26H,11-16,18-19H2,1-3H3;3-8,15-16,19,21,25H,9-14,17-18H2,1-2H3,(H2,33,36)(H,34,37);3-8,15-16,19,21,25H,9-14,17-18H2,1-2H3,(H,33,37)(H,35,36);3-10,18,21,23,26H,11-17,19-20H2,1-2H3,(H,33,35);4-6,8,12,15-16,19,21,24H,7,9-11,13-14,17-18H2,1-3H3,(H,33,35);4-10,17,20,24,26H,11-16,18-19H2,1-3H3,(H,30,32);3-6,13-15,18,21,25H,7-12,16-17H2,1-2H3,(H,31,33)/t26-,28+;2*25-,28+;26-,28+;24-,27+;26-,28+;25-,27+/m1111111/s1.
What are the key properties of (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid?
(2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid has a molecular weight of 3534.24 g/mol, XLogP of 38.01, 46 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(4-benzylpiperidin-1-yl)-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(3-carbamoylphenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-N-[(3,5-difluorophenyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(3-methylphenyl)methyl]-2-propan-2-yloxane-2-carboxamide;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;(2S,5R)-5-[4-(2-methoxy-4-pyridinyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;3-[1-[(3R,6S)-6-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]benzoic acid is sourced from PubChem (CID 159203596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).