N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(4-phenylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(4-phenylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide
N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(4-phenylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S617-0450 |
| Compound Name: | N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(4-phenylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | C(CC(N1CC[C@H](CO)[C@@H](C1)NC(c1cccnc1)=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6934 |
| logD: | 1.6934 |
| logSw: | -1.3259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.262 |
| InChI Key: | KXRUEWAIHTUMFA-PMACEKPBSA-N |