4-[2-(1-acetylpiperidine-4-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(1-acetylpiperidine-4-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(1-acetylpiperidine-4-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0072 |
| Compound Name: | 4-[2-(1-acetylpiperidine-4-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 492.54 |
| Molecular Formula: | C25 H31 F3 N4 O3 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(C1CCN(CC1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7476 |
| logD: | 1.7476 |
| logSw: | -2.5131 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.86 |
| InChI Key: | IOLFMSOZJDETDM-HXUWFJFHSA-N |