3-(2-Ethenylpiperidin-4-yl)-1-quinolin-4-ylpropan-1-one
PubChem CID: 5315886
Connections displayed (default: 10).
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| Topological Polar Surface Area | 42.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-ethenylpiperidin-4-yl)-1-quinolin-4-ylpropan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.2 |
| Molecular Formula | C19H22N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | FGKYKJLNDFLCPJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -3.027 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.816 |
| Compound Name | 3-(2-Ethenylpiperidin-4-yl)-1-quinolin-4-ylpropan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6624312363636373 |
| Inchi | InChI=1S/C19H22N2O/c1-2-15-13-14(9-11-20-15)7-8-19(22)17-10-12-21-18-6-4-3-5-16(17)18/h2-6,10,12,14-15,20H,1,7-9,11,13H2 |
| Smiles | C=CC1CC(CCN1)CCC(=O)C2=CC=NC3=CC=CC=C23 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinchona Calisaya (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients