N-[rel-(3R,4R)-1-(4-methylbenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-(4-methylbenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4R)-1-(4-methylbenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | S620-0035 |
| Compound Name: | N-[rel-(3R,4R)-1-(4-methylbenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Smiles: | Cc1ccc(cc1)C(N1CC[C@H](c2nc(C)n[nH]2)[C@@H](C1)NC(C1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.165 |
| logD: | 1.1644 |
| logSw: | -2.2447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.655 |
| InChI Key: | FUVJIALLHXNSFB-OALUTQOASA-N |