C123H127Cl4N13O8 — CID 160648289
N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 160648289) has the molecular formula C123H127Cl4N13O8 and a molecular weight of 2057.26 g/mol. Its IUPAC name is N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide.
| Compound Name | N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide |
|---|---|
| PubChem CID | 160648289 |
| Molecular Formula | C123H127Cl4N13O8 |
| Molecular Weight | 2057.26 g/mol |
| Exact Mass | 2053.87 |
| IUPAC Name | N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide |
| SMILES | CC(C)c1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.CC(CNC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1.O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 |
| InChI | InChI=1S/C33H36ClN3O2.C30H29Cl2N3O2.C30H31ClN4O2.C30H31N3O2/c1-23(2)26-11-7-24(8-12-26)15-18-35-32(38)27-16-19-36(20-17-27)33(39)31-21-28-5-3-4-6-30(28)37(31)22-25-9-13-29(34)14-10-25;31-25-9-5-21(6-10-25)13-16-33-29(36)23-14-17-34(18-15-23)30(37)28-19-24-3-1-2-4-27(24)35(28)20-22-7-11-26(32)12-8-22;1-21(23-10-14-32-15-11-23)19-33-29(36)24-12-16-34(17-13-24)30(37)28-18-25-4-2-3-5-27(25)35(28)20-22-6-8-26(31)9-7-22;1-31(21-23-10-4-2-5-11-23)29(34)25-16-18-32(19-17-25)30(35)28-20-26-14-8-9-15-27(26)33(28)22-24-12-6-3-7-13-24/h3-14,21,23,27H,15-20,22H2,1-2H3,(H,35,38);1-12,19,23H,13-18,20H2,(H,33,36);2-11,14-15,18,21,24H,12-13,16-17,19-20H2,1H3,(H,33,36);2-15,20,25H,16-19,21-22H2,1H3 |
| InChIKey | RKBRXINCXWQTMR-UHFFFAOYSA-N |
| XLogP | 23.60 |
| TPSA | 221.46 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2057.26 |
| LogP ≤ 5 | 23.60 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 13 |