rel-(2R,3R)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
Chemical Structure Depiction of
rel-(2R,3R)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
rel-(2R,3R)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
Compound characteristics
| Compound ID: | SB13-0388 |
| Compound Name: | rel-(2R,3R)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C23 H31 F N4 O3 |
| Smiles: | CCn1c(C)c(CNC([C@@H]2CCC(N(CCOC)[C@H]2c2ccc(cc2)F)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6384 |
| logD: | 1.6383 |
| logSw: | -2.7061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.484 |
| InChI Key: | WZSWYDMIKLHILH-SIKLNZKXSA-N |