3-methyl-1-[rel-(3R,4R)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[rel-(3R,4R)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one
3-methyl-1-[rel-(3R,4R)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | S995-0330 |
| Compound Name: | 3-methyl-1-[rel-(3R,4R)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]butan-1-one |
| Molecular Weight: | 414.59 |
| Molecular Formula: | C25 H38 N2 O3 |
| Smiles: | CC(C)CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3917 |
| logD: | 4.3917 |
| logSw: | -4.1757 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.74 |
| InChI Key: | VBBDWYCDNQMTRF-FYYLOGMGSA-N |