C138H175F6N15O5 — CID 158686266
N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) (PubChem CID 158686266) has the molecular formula C138H175F6N15O5 and a molecular weight of 2238.01 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide).
| Compound Name | N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) |
|---|---|
| PubChem CID | 158686266 |
| Molecular Formula | C138H175F6N15O5 |
| Molecular Weight | 2238.01 g/mol |
| Exact Mass | 2236.38 |
| IUPAC Name | N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) |
| SMILES | CCN(CC1CCCN(C(C)(C)Cc2cccc(C)c2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCCN(C(C)(C)Cc2ccccc2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCN(C(C)(C)Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1.Cc1cccc(CC(C)(C)N2CCC(CN(CC(F)(F)F)C(=O)c3cc4ccccc4[nH]3)CC2)c1.Cc1cccc(CC(C)(C)N2CCC(CN(CC(F)(F)F)C(=O)c3cc4ccccc4[nH]3)CC2)c1 |
| InChI | InChI=1S/2C28H34F3N3O.C28H37N3O.2C27H35N3O/c2*1-20-7-6-8-22(15-20)17-27(2,3)34-13-11-21(12-14-34)18-33(19-28(29,30)31)26(35)25-16-23-9-4-5-10-24(23)32-25;1-5-30(27(32)26-17-24-13-6-7-14-25(24)29-26)19-23-12-9-15-31(20-23)28(3,4)18-22-11-8-10-21(2)16-22;1-4-29(26(31)25-17-23-14-8-9-15-24(23)28-25)19-22-13-10-16-30(20-22)27(2,3)18-21-11-6-5-7-12-21;1-4-29(26(31)25-18-23-12-8-9-13-24(23)28-25)20-22-14-16-30(17-15-22)27(2,3)19-21-10-6-5-7-11-21/h2*4-10,15-16,21,32H,11-14,17-19H2,1-3H3;6-8,10-11,13-14,16-17,23,29H,5,9,12,15,18-20H2,1-4H3;5-9,11-12,14-15,17,22,28H,4,10,13,16,18-20H2,1-3H3;5-13,18,22,28H,4,14-17,19-20H2,1-3H3 |
| InChIKey | IFTWPRYLXGEFGA-UHFFFAOYSA-N |
| XLogP | 28.83 |
| TPSA | 196.70 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 164 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2238.01 |
| LogP ≤ 5 | 28.83 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 10 |