N-{[rel-(3R,4S)-1-[(3-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}cyclopropanecarboxamide
Chemical Structure Depiction of
N-{[rel-(3R,4S)-1-[(3-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}cyclopropanecarboxamide
N-{[rel-(3R,4S)-1-[(3-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S618-1064 |
| Compound Name: | N-{[rel-(3R,4S)-1-[(3-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}cyclopropanecarboxamide |
| Molecular Weight: | 340.47 |
| Molecular Formula: | C20 H28 N4 O |
| Smiles: | CN(C)[C@@H]1CN(CC[C@@H]1CNC(C1CC1)=O)Cc1cccc(C#N)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4337 |
| logD: | -0.2 |
| logSw: | -2.0721 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.808 |
| InChI Key: | XEXSNFCHKUIDHG-OALUTQOASA-N |