N-[rel-(3R,4R)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
N-[rel-(3R,4R)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S617-0590 |
| Compound Name: | N-[rel-(3R,4R)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C26 H29 N3 O3 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CC[C@H](CO)[C@@H](C1)NC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.404 |
| logD: | 2.404 |
| logSw: | -2.5415 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.161 |
| InChI Key: | GFCKEAZVHRDCRF-VWNXMTODSA-N |