1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one

C180H191F18N15O11 — CID 91428147

IUPAC1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one
SMILESCC(=O)N(c1ccccn1)C1CCN(C(C(=O)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.CCC(=O)NC1CCN(C(C(=O)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(NC(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(Nc3ccccn3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C36H35F3N2O2.2C30H32F3N3O2.C30H31F3N2O2.C28H30F3N3O.C26H31F3N2O2/c1-26-23-27(25-30(24-26)36(37,38)39)17-18-33(42)34(28-11-5-2-6-12-28)40-21-19-32(20-22-40)41(31-15-9-4-10-16-31)35(43)29-13-7-3-8-14-29;1-21-18-23(20-25(19-21)30(31,32)33)11-12-27(38)29(24-8-4-3-5-9-24)35-16-13-26(14-17-35)36(22(2)37)28-10-6-7-15-34-28;1-21-18-22(20-24(19-21)30(31,32)33)12-13-27(37)28(23-8-4-2-5-9-23)36-16-14-26(15-17-36)35-29(38)34-25-10-6-3-7-11-25;1-21-18-22(20-25(19-21)30(31,32)33)12-13-27(36)28(23-8-4-2-5-9-23)35-16-14-24(15-17-35)29(37)34-26-10-6-3-7-11-26;1-20-17-21(19-23(18-20)28(29,30)31)10-11-25(35)27(22-7-3-2-4-8-22)34-15-12-24(13-16-34)33-26-9-5-6-14-32-26;1-3-24(33)30-22-11-13-31(14-12-22)25(20-7-5-4-6-8-20)23(32)10-9-19-15-18(2)16-21(17-19)26(27,28)29/h2-16,23-25,32,34H,17-22H2,1H3;3-10,15,18-20,26,29H,11-14,16-17H2,1-2H3;2-11,18-20,26,28H,12-17H2,1H3,(H2,34,35,38);2-11,18-20,24,28H,12-17H2,1H3,(H,34,37);2-9,14,17-19,24,27H,10-13,15-16H2,1H3,(H,32,33);4-8,15-17,22,25H,3,9-14H2,1-2H3,(H,30,33)
InChIKeyXLZWXLJTAXZSDK-UHFFFAOYSA-N
MW3082.57 g/mol
LogP38.86
Rot. Bonds49

About 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one

1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one (PubChem CID 91428147) has the molecular formula C180H191F18N15O11 and a molecular weight of 3082.57 g/mol. Its IUPAC name is 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one
PubChem CID91428147
Molecular FormulaC180H191F18N15O11
Molecular Weight3082.57 g/mol
Exact Mass3080.46
IUPAC Name1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one
SMILESCC(=O)N(c1ccccn1)C1CCN(C(C(=O)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.CCC(=O)NC1CCN(C(C(=O)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(NC(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(Nc3ccccn3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C36H35F3N2O2.2C30H32F3N3O2.C30H31F3N2O2.C28H30F3N3O.C26H31F3N2O2/c1-26-23-27(25-30(24-26)36(37,38)39)17-18-33(42)34(28-11-5-2-6-12-28)40-21-19-32(20-22-40)41(31-15-9-4-10-16-31)35(43)29-13-7-3-8-14-29;1-21-18-23(20-25(19-21)30(31,32)33)11-12-27(38)29(24-8-4-3-5-9-24)35-16-13-26(14-17-35)36(22(2)37)28-10-6-7-15-34-28;1-21-18-22(20-24(19-21)30(31,32)33)12-13-27(37)28(23-8-4-2-5-9-23)36-16-14-26(15-17-36)35-29(38)34-25-10-6-3-7-11-25;1-21-18-22(20-25(19-21)30(31,32)33)12-13-27(36)28(23-8-4-2-5-9-23)35-16-14-24(15-17-35)29(37)34-26-10-6-3-7-11-26;1-20-17-21(19-23(18-20)28(29,30)31)10-11-25(35)27(22-7-3-2-4-8-22)34-15-12-24(13-16-34)33-26-9-5-6-14-32-26;1-3-24(33)30-22-11-13-31(14-12-22)25(20-7-5-4-6-8-20)23(32)10-9-19-15-18(2)16-21(17-19)26(27,28)29/h2-16,23-25,32,34H,17-22H2,1H3;3-10,15,18-20,26,29H,11-14,16-17H2,1-2H3;2-11,18-20,26,28H,12-17H2,1H3,(H2,34,35,38);2-11,18-20,24,28H,12-17H2,1H3,(H,34,37);2-9,14,17-19,24,27H,10-13,15-16H2,1H3,(H,32,33);4-8,15-17,22,25H,3,9-14H2,1-2H3,(H,30,33)
InChIKeyXLZWXLJTAXZSDK-UHFFFAOYSA-N
XLogP38.86
TPSA299.62 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds49
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003082.57
LogP ≤ 538.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one 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

3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 71458712
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyrazolidin-4-ylphenyl)methanone
CID 119098934
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 119098944
[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
4-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide
CID 119098948
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-quinolin-2-ylmethanone
CID 119098949
3-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide
CID 119098952
(1-methyl-1H-inden-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098956
[2-(Dimethylamino)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098963
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 119098965
[3-(Dimethylamino)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098967
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]fluoren-9-one
CID 119098968

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one?
The IUPAC name of 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one (CID 91428147) is 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one.
What is the SMILES notation for 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one?
The canonical SMILES for 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one is CC(=O)N(c1ccccn1)C1CCN(C(C(=O)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.CCC(=O)NC1CCN(C(C(=O)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(NC(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(Nc3ccccn3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one?
The InChIKey is XLZWXLJTAXZSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F3N2O2.2C30H32F3N3O2.C30H31F3N2O2.C28H30F3N3O.C26H31F3N2O2/c1-26-23-27(25-30(24-26)36(37,38)39)17-18-33(42)34(28-11-5-2-6-12-28)40-21-19-32(20-22-40)41(31-15-9-4-10-16-31)35(43)29-13-7-3-8-14-29;1-21-18-23(20-25(19-21)30(31,32)33)11-12-27(38)29(24-8-4-3-5-9-24)35-16-13-26(14-17-35)36(22(2)37)28-10-6-7-15-34-28;1-21-18-22(20-24(19-21)30(31,32)33)12-13-27(37)28(23-8-4-2-5-9-23)36-16-14-26(15-17-36)35-29(38)34-25-10-6-3-7-11-25;1-21-18-22(20-25(19-21)30(31,32)33)12-13-27(36)28(23-8-4-2-5-9-23)35-16-14-24(15-17-35)29(37)34-26-10-6-3-7-11-26;1-20-17-21(19-23(18-20)28(29,30)31)10-11-25(35)27(22-7-3-2-4-8-22)34-15-12-24(13-16-34)33-26-9-5-6-14-32-26;1-3-24(33)30-22-11-13-31(14-12-22)25(20-7-5-4-6-8-20)23(32)10-9-19-15-18(2)16-21(17-19)26(27,28)29/h2-16,23-25,32,34H,17-22H2,1H3;3-10,15,18-20,26,29H,11-14,16-17H2,1-2H3;2-11,18-20,26,28H,12-17H2,1H3,(H2,34,35,38);2-11,18-20,24,28H,12-17H2,1H3,(H,34,37);2-9,14,17-19,24,27H,10-13,15-16H2,1H3,(H,32,33);4-8,15-17,22,25H,3,9-14H2,1-2H3,(H,30,33).
What are the key properties of 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one?
1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one has a molecular weight of 3082.57 g/mol, XLogP of 38.86, 49 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one is sourced from PubChem (CID 91428147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).