1-[rel-(1R,5S)-3-{[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(1R,5S)-3-{[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
1-[rel-(1R,5S)-3-{[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB48-0116 |
| Compound Name: | 1-[rel-(1R,5S)-3-{[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C20 H30 N4 O3 |
| Smiles: | CC(N1[C@H]2CC[C@@H]1C[C@H](C2)OC1CCN(CC1)C(c1cc(C)nn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.9832 |
| logD: | -0.9832 |
| logSw: | -0.6964 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.244 |
| InChI Key: | ZJNNEXSSKSZDRW-HOTGVXAUSA-N |