C115H132Cl8F6N24O6 — CID 161034446
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 161034446) has the molecular formula C115H132Cl8F6N24O6 and a molecular weight of 2344.09 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
| Compound Name | N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
|---|---|
| PubChem CID | 161034446 |
| Molecular Formula | C115H132Cl8F6N24O6 |
| Molecular Weight | 2344.09 g/mol |
| Exact Mass | 2338.82 |
| IUPAC Name | N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| SMILES | CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@@H]2C)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncc(Cl)cc2Cl)CC1 |
| InChI | InChI=1S/C20H22ClF3N4O.2C20H25ClN4O.C19H22Cl2N4O.C19H23ClN4O.C17H15Cl2F3N4O/c1-13(2)14-3-5-16(6-4-14)26-19(29)28-9-7-27(8-10-28)18-17(21)11-15(12-25-18)20(22,23)24;1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;1-14(2)16-6-8-17(9-7-16)23-20(26)25-12-11-24(13-15(25)3)19-18(21)5-4-10-22-19;1-13(2)14-3-5-16(6-4-14)23-19(26)25-9-7-24(8-10-25)18-17(21)11-15(20)12-22-18;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;18-12-9-14(19)15(23-10-12)25-5-7-26(8-6-25)16(27)24-13-3-1-11(2-4-13)17(20,21)22/h3-6,11-13H,7-10H2,1-2H3,(H,26,29);4-10H,11-14H2,1-3H3,(H,23,26);4-10,14-15H,11-13H2,1-3H3,(H,23,26);3-6,11-13H,7-10H2,1-2H3,(H,23,26);3-9,14H,10-13H2,1-2H3,(H,22,25);1-4,9-10H,5-8H2,(H,24,27)/t;;15-;;;/m..0.../s1 |
| InChIKey | UABJAUDOFROJKW-HPCOTXIHSA-N |
| XLogP | 28.06 |
| TPSA | 290.82 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2344.09 |
| LogP ≤ 5 | 28.06 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |