C135H145N19O13 — CID 157430113
1-(1H-indazole-4-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indazole-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indole-6-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1H-indol-3-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[3-(1H-indol-3-yl)propanoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-(5-methoxy-1H-indene-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 157430113) has the molecular formula C135H145N19O13 and a molecular weight of 2241.76 g/mol. Its IUPAC name is 1-(1H-indazole-4-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indazole-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indole-6-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1H-indol-3-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[3-(1H-indol-3-yl)propanoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-(5-methoxy-1H-indene-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide.
| Compound Name | 1-(1H-indazole-4-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indazole-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indole-6-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1H-indol-3-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[3-(1H-indol-3-yl)propanoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-(5-methoxy-1H-indene-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide |
|---|---|
| PubChem CID | 157430113 |
| Molecular Formula | C135H145N19O13 |
| Molecular Weight | 2241.76 g/mol |
| Exact Mass | 2240.13 |
| IUPAC Name | 1-(1H-indazole-4-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indazole-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indole-6-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1H-indol-3-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[3-(1H-indol-3-yl)propanoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-(5-methoxy-1H-indene-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide |
| SMILES | COc1ccc2c(c1)C=C(C(=O)N1CCCC(C(=O)Nc3ccc(C)cc3)C1)C2.Cc1ccc(NC(=O)C2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccc4[nH]ncc4c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4[nH]ncc34)C2)cc1 |
| InChI | InChI=1S/C24H27N3O2.C24H26N2O3.C23H25N3O2.C22H23N3O2.2C21H22N4O2/c1-17-8-11-20(12-9-17)26-24(29)19-5-4-14-27(16-19)23(28)13-10-18-15-25-22-7-3-2-6-21(18)22;1-16-5-8-21(9-6-16)25-23(27)18-4-3-11-26(15-18)24(28)20-12-17-7-10-22(29-2)14-19(17)13-20;1-16-8-10-19(11-9-16)25-23(28)17-5-4-12-26(15-17)22(27)13-18-14-24-21-7-3-2-6-20(18)21;1-15-4-8-19(9-5-15)24-21(26)18-3-2-12-25(14-18)22(27)17-7-6-16-10-11-23-20(16)13-17;1-14-7-9-16(10-8-14)23-20(26)15-4-3-11-25(13-15)21(27)17-5-2-6-19-18(17)12-22-24-19;1-14-4-7-18(8-5-14)23-20(26)16-3-2-10-25(13-16)21(27)15-6-9-19-17(11-15)12-22-24-19/h2-3,6-9,11-12,15,19,25H,4-5,10,13-14,16H2,1H3,(H,26,29);5-10,13-14,18H,3-4,11-12,15H2,1-2H3,(H,25,27);2-3,6-11,14,17,24H,4-5,12-13,15H2,1H3,(H,25,28);4-11,13,18,23H,2-3,12,14H2,1H3,(H,24,26);2,5-10,12,15H,3-4,11,13H2,1H3,(H,22,24)(H,23,26);4-9,11-12,16H,2-3,10,13H2,1H3,(H,22,24)(H,23,26) |
| InChIKey | BQKSGEJBAHPRRL-UHFFFAOYSA-N |
| XLogP | 22.69 |
| TPSA | 410.42 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2241.76 |
| LogP ≤ 5 | 22.69 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 15 |