1-(1-Benzoylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID: 29923792
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| Compound Synonyms | AKOS015964244 |
|---|---|
| Topological Polar Surface Area | 57.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1-benzoylpiperidin-4-yl)pyrrolidine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C16H18N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BMBGMZGOEGQGFG-UHFFFAOYSA-N |
| Fcsp3 | 0.4375 |
| Logs | -1.468 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.273 |
| Compound Name | 1-(1-Benzoylpiperidin-4-yl)pyrrolidine-2,5-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.132 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 286.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.170480771428571 |
| Inchi | InChI=1S/C16H18N2O3/c19-14-6-7-15(20)18(14)13-8-10-17(11-9-13)16(21)12-4-2-1-3-5-12/h1-5,13H,6-11H2 |
| Smiles | C1CN(CCC1N2C(=O)CCC2=O)C(=O)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients