4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | Y031-4262 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C25 H28 F N3 O4 |
| Smiles: | C(CN1CC(CC1=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8653 |
| logD: | 1.397 |
| logSw: | -2.426 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.717 |
| InChI Key: | NGPQTLFFZYDJIE-HXUWFJFHSA-N |