N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl}pyridine-3-carboxamide
N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S617-0449 |
| Compound Name: | N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl}pyridine-3-carboxamide |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C22 H27 N3 O4 |
| Smiles: | COc1ccc(CCC(N2CC[C@H](CO)[C@@H](C2)NC(c2cccnc2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0947 |
| logD: | 1.0947 |
| logSw: | -1.0188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.806 |
| InChI Key: | WDOHUFCEUPATLC-ICSRJNTNSA-N |