rel-(2R,3R)-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
Chemical Structure Depiction of
rel-(2R,3R)-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
rel-(2R,3R)-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
Compound characteristics
| Compound ID: | SB13-0411 |
| Compound Name: | rel-(2R,3R)-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C21 H27 F N4 O3 |
| Smiles: | Cc1cc(CNC([C@@H]2CCC(N(CCOC)[C@H]2c2ccc(cc2)F)=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8624 |
| logD: | 0.8624 |
| logSw: | -2.5077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.009 |
| InChI Key: | SUBTZEBAYLECNH-AZUAARDMSA-N |