2-ethyl-1-[rel-(3R,4R)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one
Chemical Structure Depiction of
2-ethyl-1-[rel-(3R,4R)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one
2-ethyl-1-[rel-(3R,4R)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | S995-0329 |
| Compound Name: | 2-ethyl-1-[rel-(3R,4R)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one |
| Molecular Weight: | 428.62 |
| Molecular Formula: | C26 H40 N2 O3 |
| Smiles: | CCC(CC)C(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9176 |
| logD: | 4.9176 |
| logSw: | -4.4566 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.267 |
| InChI Key: | ZJZQNHIHIIMPCU-ISKFKSNPSA-N |