1-[4-(4-methylbenzamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-[4-(4-methylbenzamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
1-[4-(4-methylbenzamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L442-0305 |
| Compound Name: | 1-[4-(4-methylbenzamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 519.52 |
| Molecular Formula: | C24 H27 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(cc1)C(N1CCC(CC1)C(NCC=C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5155 |
| logD: | 2.5025 |
| logSw: | -2.8268 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.504 |
| InChI Key: | PQYJZJZLPBGMID-UHFFFAOYSA-N |