1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-[1-(propan-2-yl)piperidin-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-[1-(propan-2-yl)piperidin-4-yl]ethan-1-one
1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-[1-(propan-2-yl)piperidin-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC54-0242 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-[1-(propan-2-yl)piperidin-4-yl]ethan-1-one |
| Molecular Weight: | 465.64 |
| Molecular Formula: | C27 H39 N5 O2 |
| Smiles: | CC(C)N1CCC(CC1)CC(N1CC[C@@]2(CN(Cc3ccccc3)C[C@@H]2C1)c1nnc(C)o1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6977 |
| logD: | -0.5343 |
| logSw: | -2.7111 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.786 |
| InChI Key: | NRLGDRHCROCIDG-RPLLCQBOSA-N |