2-methyl-1-{4-[rel-(3R,4R)-1-(3-methylpyridine-2-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[rel-(3R,4R)-1-(3-methylpyridine-2-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
2-methyl-1-{4-[rel-(3R,4R)-1-(3-methylpyridine-2-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S995-0352 |
| Compound Name: | 2-methyl-1-{4-[rel-(3R,4R)-1-(3-methylpyridine-2-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1c(C)cccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0077 |
| logD: | 4.0077 |
| logSw: | -4.0416 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.814 |
| InChI Key: | VHUSMIVZDRTQFG-UPVQGACJSA-N |