C260H336Cl4F27N27O9 — CID 158573525
1-(4-tert-butylphenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N,4-dimethyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;N,4-dimethyl-1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;4-methyl-1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide (PubChem CID 158573525) has the molecular formula C260H336Cl4F27N27O9 and a molecular weight of 4638.49 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N,4-dimethyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;N,4-dimethyl-1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;4-methyl-1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide.
| Compound Name | 1-(4-tert-butylphenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N,4-dimethyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;N,4-dimethyl-1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;4-methyl-1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide |
|---|---|
| PubChem CID | 158573525 |
| Molecular Formula | C260H336Cl4F27N27O9 |
| Molecular Weight | 4638.49 g/mol |
| Exact Mass | 4633.50 |
| IUPAC Name | 1-(4-tert-butylphenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N,4-dimethyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-4-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;1-(4-chlorophenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;N,4-dimethyl-1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;4-methyl-1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;1-(4-methylphenyl)-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperidine-4-carboxamide |
| SMILES | Cc1ccc(N2CCC(C(=O)NCC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(C)(C(=O)N(C)CC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(C)(C(=O)NCC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(CN(C)C(=O)C3(C)CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(CN(C)C(=O)C3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(CNC(=O)C3(C)CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(CNC(=O)C3(C)CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(CNC(=O)C3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F |
| InChI | InChI=1S/C32H44F3N3O.C30H40F3N3O.C29H37ClF3N3O.2C29H38F3N3O.2C28H35ClF3N3O.C28H36F3N3O.C27H33ClF3N3O/c1-22-6-11-26(20-28(22)32(33,34)35)37-25-12-7-23(8-13-25)21-36-29(39)31(5)16-18-38(19-17-31)27-14-9-24(10-15-27)30(2,3)4;1-21-5-13-26(14-6-21)36-17-15-29(3,16-18-36)28(37)35(4)20-23-8-11-24(12-9-23)34-25-10-7-22(2)27(19-25)30(31,32)33;1-20-4-9-24(18-26(20)29(31,32)33)34-23-10-5-21(6-11-23)19-35(3)27(37)28(2)14-16-36(17-15-28)25-12-7-22(30)8-13-25;1-20-4-12-26(13-5-20)35-16-14-22(15-17-35)19-34(3)28(36)23-7-10-24(11-8-23)33-25-9-6-21(2)27(18-25)29(30,31)32;1-20-4-12-25(13-5-20)35-16-14-28(3,15-17-35)27(36)33-19-22-7-10-23(11-8-22)34-24-9-6-21(2)26(18-24)29(30,31)32;1-19-3-8-24(17-26(19)28(30,31)32)33-23-9-4-20(5-10-23)18-34(2)27(36)21-13-15-35(16-14-21)25-11-6-22(29)7-12-25;1-19-3-8-23(17-25(19)28(30,31)32)34-22-9-4-20(5-10-22)18-33-26(36)27(2)13-15-35(16-14-27)24-11-6-21(29)7-12-24;1-19-3-11-25(12-4-19)34-15-13-22(14-16-34)27(35)32-18-21-6-9-23(10-7-21)33-24-8-5-20(2)26(17-24)28(29,30)31;1-18-2-7-23(16-25(18)27(29,30)31)33-22-8-3-19(4-9-22)17-32-26(35)20-12-14-34(15-13-20)24-10-5-21(28)6-11-24/h6,9-11,14-15,20,23,25,37H,7-8,12-13,16-19,21H2,1-5H3,(H,36,39);5-7,10,13-14,19,23-24,34H,8-9,11-12,15-18,20H2,1-4H3;4,7-9,12-13,18,21,23,34H,5-6,10-11,14-17,19H2,1-3H3;4-6,9,12-13,18,22-24,33H,7-8,10-11,14-17,19H2,1-3H3;4-6,9,12-13,18,22-23,34H,7-8,10-11,14-17,19H2,1-3H3,(H,33,36);3,6-8,11-12,17,20-21,23,33H,4-5,9-10,13-16,18H2,1-2H3;3,6-8,11-12,17,20,22,34H,4-5,9-10,13-16,18H2,1-2H3,(H,33,36);3-5,8,11-12,17,21-23,33H,6-7,9-10,13-16,18H2,1-2H3,(H,32,35);2,5-7,10-11,16,19-20,22,33H,3-4,8-9,12-15,17H2,1H3,(H,32,35) |
| InChIKey | HSJKCYNSMJBXPU-UHFFFAOYSA-N |
| XLogP | 62.62 |
| TPSA | 364.17 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 327 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4638.49 |
| LogP ≤ 5 | 62.62 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 27 |