C121H124Cl4N16O9 — CID 158886185
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (PubChem CID 158886185) has the molecular formula C121H124Cl4N16O9 and a molecular weight of 2088.24 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.
| Compound Name | 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide |
|---|---|
| PubChem CID | 158886185 |
| Molecular Formula | C121H124Cl4N16O9 |
| Molecular Weight | 2088.24 g/mol |
| Exact Mass | 2084.85 |
| IUPAC Name | 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide |
| SMILES | CC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.COc1cccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(Cc3cccnc3)CC2)CC1 |
| InChI | InChI=1S/C32H34ClN5O2.C31H32ClN3O3.2C29H29ClN4O2/c33-28-9-7-24(8-10-28)23-38-29-6-2-1-5-27(29)20-30(38)32(40)36-14-11-26(12-15-36)31(39)37-18-16-35(17-19-37)22-25-4-3-13-34-21-25;1-38-27-7-4-5-22(19-27)13-16-33-30(36)24-14-17-34(18-15-24)31(37)29-20-25-6-2-3-8-28(25)35(29)21-23-9-11-26(32)12-10-23;1-20(22-10-14-31-15-11-22)32-28(35)23-12-16-33(17-13-23)29(36)27-18-24-4-2-3-5-26(24)34(27)19-21-6-8-25(30)9-7-21;30-25-9-7-22(8-10-25)20-34-26-6-2-1-5-24(26)18-27(34)29(36)33-16-12-23(13-17-33)28(35)32-15-11-21-4-3-14-31-19-21/h1-10,13,20-21,26H,11-12,14-19,22-23H2;2-12,19-20,24H,13-18,21H2,1H3,(H,33,36);2-11,14-15,18,20,23H,12-13,16-17,19H2,1H3,(H,32,35);1-10,14,18-19,23H,11-13,15-17,20H2,(H,32,35) |
| InChIKey | JDQSMDGBIOCJCI-UHFFFAOYSA-N |
| XLogP | 20.91 |
| TPSA | 259.71 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2088.24 |
| LogP ≤ 5 | 20.91 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 17 |