N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl}pyridine-3-carboxamide
N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S229-1237 |
| Compound Name: | N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl}pyridine-3-carboxamide |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | COc1ccc(CN2CC[C@H](CO)[C@@H](C2)NC(c2cccnc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9923 |
| logD: | 0.9325 |
| logSw: | -1.0866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.418 |
| InChI Key: | MAFWBCOIMOBSFA-HKUYNNGSSA-N |