N-methyl-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-methyl-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide
N-methyl-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | N117-0133 |
| Compound Name: | N-methyl-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide |
| Molecular Weight: | 498.67 |
| Molecular Formula: | C27 H42 N6 O3 |
| Smiles: | [H][C@@]12CCCC(N2CC2C[C@@H]1CN(C2)C(N1CCC(CC1)C(N(C)CCc1c(C)nn(C)c1C)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9739 |
| logD: | 0.9736 |
| logSw: | -0.9972 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.894 |
| InChI Key: | YPMILHQVZVXSGR-BGWNEDDSSA-N |