4-[(2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[3-(piperidin-1-yl)propyl]butanamide--hydrogen chloride (1/3)
Chemical Structure Depiction of
4-[(2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[3-(piperidin-1-yl)propyl]butanamide--hydrogen chloride (1/3)
4-[(2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[3-(piperidin-1-yl)propyl]butanamide--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | N113-0242 |
| Compound Name: | 4-[(2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[3-(piperidin-1-yl)propyl]butanamide--hydrogen chloride (1/3) |
| Molecular Weight: | 536.03 |
| Molecular Formula: | C26 H42 N4 O |
| Salt: | 3HCl |
| Smiles: | [H][C@@]1(CCCC(NCCCN2CCCCC2)=O)[C@H]2C[C@@H](CN1)CN(Cc1ccccc1)C2 |
| Stereo: | ABSOLUTE |
| logP: | 2.172 |
| logD: | -0.4822 |
| logSw: | -2.506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.09 |
| InChI Key: | IROBMXSESFHFEY-CCDWMCETSA-N |