rel-(3aR,7aS)-2-[(1-acetylpiperidin-4-yl)acetyl]-5-benzyloctahydro-6H-pyrrolo[3,4-c]pyridin-6-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(3aR,7aS)-2-[(1-acetylpiperidin-4-yl)acetyl]-5-benzyloctahydro-6H-pyrrolo[3,4-c]pyridin-6-one--hydrogen chloride (1/1)
rel-(3aR,7aS)-2-[(1-acetylpiperidin-4-yl)acetyl]-5-benzyloctahydro-6H-pyrrolo[3,4-c]pyridin-6-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB76-0358 |
| Compound Name: | rel-(3aR,7aS)-2-[(1-acetylpiperidin-4-yl)acetyl]-5-benzyloctahydro-6H-pyrrolo[3,4-c]pyridin-6-one--hydrogen chloride (1/1) |
| Molecular Weight: | 433.98 |
| Molecular Formula: | C23 H31 N3 O3 |
| Salt: | HCl |
| Smiles: | [H][C@@]12CN(Cc3ccccc3)C(C[C@@]2([H])CN(C1)C(CC1CCN(CC1)C(C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5513 |
| logD: | 1.5513 |
| logSw: | -1.7635 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.538 |
| InChI Key: | XNBOXIMCDRZHLD-LEWJYISDSA-N |