ethyl 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-3-carboxylate
ethyl 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C738-0105 |
| Compound Name: | ethyl 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-3-carboxylate |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | CCOC(C1CCCN(C1)C1=C(C(C1=O)=O)N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1063 |
| logD: | 4.1063 |
| logSw: | -4.1671 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.442 |
| InChI Key: | RSHPHXFCWLAOCR-SFHVURJKSA-N |