1-{4-[rel-(3R,4R)-1-(1-methyl-1H-pyrrole-2-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(1-methyl-1H-pyrrole-2-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-(1-methyl-1H-pyrrole-2-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0726 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(1-methyl-1H-pyrrole-2-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1cccn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6424 |
| logD: | 3.6424 |
| logSw: | -3.5556 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.88 |
| InChI Key: | GZDZTAFYUXHQCZ-UNMCSNQZSA-N |