C97H119BrCl4N20O5 — CID 159376904
4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide (PubChem CID 159376904) has the molecular formula C97H119BrCl4N20O5 and a molecular weight of 1866.87 g/mol. Its IUPAC name is 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide.
| Compound Name | 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide |
|---|---|
| PubChem CID | 159376904 |
| Molecular Formula | C97H119BrCl4N20O5 |
| Molecular Weight | 1866.87 g/mol |
| Exact Mass | 1862.76 |
| IUPAC Name | 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide |
| SMILES | CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Br)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1 |
| InChI | InChI=1S/2C20H25ClN4O.C19H23BrN4O.2C19H23ClN4O/c1-14(2)16-6-8-17(9-7-16)23-20(26)24-11-12-25(15(3)13-24)19-18(21)5-4-10-22-19;1-2-3-5-16-7-9-17(10-8-16)23-20(26)25-14-12-24(13-15-25)19-18(21)6-4-11-22-19;1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;1-3-15-6-8-16(9-7-15)22-19(25)23-11-12-24(14(2)13-23)18-17(20)5-4-10-21-18;1-2-4-15-6-8-16(9-7-15)22-19(25)24-13-11-23(12-14-24)18-17(20)5-3-10-21-18/h4-10,14-15H,11-13H2,1-3H3,(H,23,26);4,6-11H,2-3,5,12-15H2,1H3,(H,23,26);3-9,14H,10-13H2,1-2H3,(H,22,25);4-10,14H,3,11-13H2,1-2H3,(H,22,25);3,5-10H,2,4,11-14H2,1H3,(H,22,25) |
| InChIKey | LKKYEFAQJRUWPU-UHFFFAOYSA-N |
| XLogP | 21.44 |
| TPSA | 242.35 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 127 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1866.87 |
| LogP ≤ 5 | 21.44 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 15 |