N-[(4-methylphenyl)methyl]-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]piperidine-1-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]piperidine-1-carboxamide
N-[(4-methylphenyl)methyl]-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]piperidine-1-carboxamide
Compound characteristics
| Compound ID: | N109-0222 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]piperidine-1-carboxamide |
| Molecular Weight: | 424.59 |
| Molecular Formula: | C25 H36 N4 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C1CCN(CC1)C(NCc1ccc(C)cc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4987 |
| logD: | -0.4569 |
| logSw: | -2.7023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.357 |
| InChI Key: | QDEHSZKAJGGVTK-MQSCRBSSSA-N |