C135H145Cl2F2N15O11S2 — CID 157465325
N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide (PubChem CID 157465325) has the molecular formula C135H145Cl2F2N15O11S2 and a molecular weight of 2326.77 g/mol. Its IUPAC name is N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide.
| Compound Name | N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide |
|---|---|
| PubChem CID | 157465325 |
| Molecular Formula | C135H145Cl2F2N15O11S2 |
| Molecular Weight | 2326.77 g/mol |
| Exact Mass | 2324.00 |
| IUPAC Name | N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide |
| SMILES | CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2c[nH]c3ccc(Cl)cc23)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)c(C)s2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3s2)CC1.CCC(=O)N(c1ccccc1)C1CCN(c2ccccn2)CC1 |
| InChI | InChI=1S/C26H28N2O2S.2C23H24ClN3O2.C23H24N2O2S.C21H22F2N2O2.C19H23N3O/c1-3-25(29)28(21-12-8-5-9-13-21)22-14-16-27(17-15-22)26(30)24-18-23(19(2)31-24)20-10-6-4-7-11-20;1-2-22(28)27(18-6-4-3-5-7-18)19-10-12-26(13-11-19)23(29)21-15-16-14-17(24)8-9-20(16)25-21;1-2-22(28)27(17-6-4-3-5-7-17)18-10-12-26(13-11-18)23(29)20-15-25-21-9-8-16(24)14-19(20)21;1-2-22(26)25(18-9-4-3-5-10-18)19-12-14-24(15-13-19)23(27)21-16-17-8-6-7-11-20(17)28-21;1-2-20(26)25(18-6-4-3-5-7-18)19-8-10-24(11-9-19)21(27)15-12-16(22)14-17(23)13-15;1-2-19(23)22(16-8-4-3-5-9-16)17-11-14-21(15-12-17)18-10-6-7-13-20-18/h4-13,18,22H,3,14-17H2,1-2H3;3-9,14-15,19,25H,2,10-13H2,1H3;3-9,14-15,18,25H,2,10-13H2,1H3;3-11,16,19H,2,12-15H2,1H3;3-7,12-14,19H,2,8-11H2,1H3;3-10,13,17H,2,11-12,14-15H2,1H3 |
| InChIKey | BUKDGXOHKWZEAT-UHFFFAOYSA-N |
| XLogP | 27.96 |
| TPSA | 271.12 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2326.77 |
| LogP ≤ 5 | 27.96 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 15 |