N-butyl-1-[4-(2-methylpropanamido)benzoyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-1-[4-(2-methylpropanamido)benzoyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-butyl-1-[4-(2-methylpropanamido)benzoyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L442-0532 |
| Compound Name: | N-butyl-1-[4-(2-methylpropanamido)benzoyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C21 H31 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(C1CCN(CC1)C(c1ccc(cc1)NC(C(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3301 |
| logD: | 2.3295 |
| logSw: | -2.9761 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.776 |
| InChI Key: | KXEUZZCHVFNIAU-UHFFFAOYSA-N |