4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(piperidin-1-yl)ethyl]butanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(piperidin-1-yl)ethyl]butanamide--hydrogen chloride (1/1)
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(piperidin-1-yl)ethyl]butanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | N113-0070 |
| Compound Name: | 4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(piperidin-1-yl)ethyl]butanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 449.08 |
| Molecular Formula: | C25 H40 N4 O |
| Salt: | HCl |
| Smiles: | [H][C@@]1(CCCC(NCCN2CCCCC2)=O)[C@H]2C[C@@H](CN1)CN(Cc1ccccc1)C2 |
| Stereo: | ABSOLUTE |
| logP: | 2.0488 |
| logD: | -0.06 |
| logSw: | -2.4885 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.09 |
| InChI Key: | ZHKNOIWIZURJOB-KMDXXIMOSA-N |