1-[rel-(3R,4R)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0091 |
| Compound Name: | 1-[rel-(3R,4R)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(c1cc(C)n(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2642 |
| logD: | 2.2642 |
| logSw: | -2.6135 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.95 |
| InChI Key: | BOUAEKXVUCODSJ-IFMALSPDSA-N |