N-[(4-methoxyphenyl)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-methoxyphenyl)methyl]-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]piperidine-1-carboxamide
N-[(4-methoxyphenyl)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: | N109-0270 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]piperidine-1-carboxamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C25 H36 N4 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C1CCN(CC1)C(NCc1ccc(cc1)OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0577 |
| logD: | -0.8979 |
| logSw: | -2.5455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.9 |
| InChI Key: | QTTXRNYCXZIHHB-MIZPHKNDSA-N |