rel-(3aR,6aR)-2-(1-acetylpiperidin-4-yl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(1-acetylpiperidin-4-yl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-(1-acetylpiperidin-4-yl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0476 |
| Compound Name: | rel-(3aR,6aR)-2-(1-acetylpiperidin-4-yl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | CC(N1CCC(CC1)N1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8411 |
| logD: | -7.1546 |
| logSw: | -0.5763 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.991 |
| InChI Key: | GYBTWSUNOYINRD-AVRDEDQJSA-N |