2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-propanoylpyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-propanoylpyrrolidin-3-yl]piperidin-1-yl}propan-1-one
2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-propanoylpyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S995-0366 |
| Compound Name: | 2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-propanoylpyrrolidin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C23 H34 N2 O3 |
| Smiles: | CCC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6427 |
| logD: | 3.6427 |
| logSw: | -3.6068 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.74 |
| InChI Key: | NGEGSVLNNPLUTE-TZIWHRDSSA-N |