rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S995-0741 |
| Compound Name: | rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(NCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0336 |
| logD: | 4.0336 |
| logSw: | -4.0981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.448 |
| InChI Key: | IBMDRADGWWWWOL-AHWVRZQESA-N |