C125H161Cl3N24O6 — CID 158271305
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-3-methylpiperazine-1-carboxamide;(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(3R)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 158271305) has the molecular formula C125H161Cl3N24O6 and a molecular weight of 2202.18 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-3-methylpiperazine-1-carboxamide;(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(3R)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
| Compound Name | N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-3-methylpiperazine-1-carboxamide;(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(3R)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide |
|---|---|
| PubChem CID | 158271305 |
| Molecular Formula | C125H161Cl3N24O6 |
| Molecular Weight | 2202.18 g/mol |
| Exact Mass | 2199.21 |
| IUPAC Name | N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-3-methylpiperazine-1-carboxamide;(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(3R)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide |
| SMILES | CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.CC1CN(C(=O)Nc2ccc(C(C)(C)C)cc2)CCN1c1ncccc1Cl.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3C)CC2)cc1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C.O=C(NC1Cc2ccccc2C1)N1CCN(c2ncccc2Cl)CC1 |
| InChI | InChI=1S/2C22H30N4O.C21H27ClN4O.C21H28N4O.C20H25ClN4O.C19H21ClN4O/c2*1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5;1-15-14-25(12-13-26(15)19-18(22)6-5-11-23-19)20(27)24-17-9-7-16(8-10-17)21(2,3)4;1-3-4-7-18-8-10-19(11-9-18)23-21(26)25-15-13-24(14-16-25)20-17(2)6-5-12-22-20;1-14(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;20-17-6-3-7-21-18(17)23-8-10-24(11-9-23)19(25)22-16-12-14-4-1-2-5-15(14)13-16/h2*6-12,17H,13-15H2,1-5H3,(H,24,27);5-11,15H,12-14H2,1-4H3,(H,24,27);5-6,8-12H,3-4,7,13-16H2,1-2H3,(H,23,26);4-10,14-15H,11-13H2,1-3H3,(H,23,26);1-7,16H,8-13H2,(H,22,25)/t2*17-;;;;/m10..../s1 |
| InChIKey | GJBIIFABXCYEGQ-BYQNJDFCSA-N |
| XLogP | 25.06 |
| TPSA | 290.82 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2202.18 |
| LogP ≤ 5 | 25.06 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |