1-{4-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | CM2432-2341 |
| Compound Name: | 1-{4-[rel-(3aR,7aS)-5-cyclopentyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 377.53 |
| Molecular Formula: | C21 H35 N3 O3 |
| Smiles: | CC(N1CCC(CC1)C(N1C[C@@H]2CN(CC[C@@]2(C1)CO)C1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8341 |
| logD: | -2.141 |
| logSw: | -0.4594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.936 |
| InChI Key: | BKYNMLJBLVRNHY-GHTZIAJQSA-N |