1-[rel-(3R,4R)-3-[1-(1-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-[1-(1-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-[1-(1-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0095 |
| Compound Name: | 1-[rel-(3R,4R)-3-[1-(1-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(c1cnn(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.744 |
| logD: | 1.744 |
| logSw: | -1.854 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.272 |
| InChI Key: | FQIRBYFCRGYBSG-IFMALSPDSA-N |