N-[rel-(3R,4R)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
N-[rel-(3R,4R)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S617-0944 |
| Compound Name: | N-[rel-(3R,4R)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | CCn1cc(CN2CC[C@H](CO)[C@@H](C2)NC(c2ccccc2)=O)c(C)n1 |
| Stereo: | RELATIVE |
| logP: | 0.9116 |
| logD: | -2.9468 |
| logSw: | -1.7122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.211 |
| InChI Key: | OCUSXEIVHNAUHV-HKUYNNGSSA-N |