1-(4-{[rel-(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl]oxy}piperidin-1-yl)-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[rel-(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl]oxy}piperidin-1-yl)-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
1-(4-{[rel-(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl]oxy}piperidin-1-yl)-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB48-0128 |
| Compound Name: | 1-(4-{[rel-(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl]oxy}piperidin-1-yl)-2-(4-methyl-1H-pyrazol-1-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(Cn1cc(C)cn1)=O)=O |
| Stereo: | RELATIVE |
| logP: | -0.9616 |
| logD: | -0.9616 |
| logSw: | -0.2568 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.172 |
| InChI Key: | JLMMYLGOPDTDAZ-IRXDYDNUSA-N |