Piperodione
PubChem CID: 71665599
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| Compound Synonyms | Piperodione, CHEMBL2333557, 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpentane-1,2,5-trione |
|---|---|
| Topological Polar Surface Area | 72.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 472.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpentane-1,2,5-trione |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Is Pains | False |
| Molecular Formula | C17H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CNJOJYZDMBPQTJ-UHFFFAOYSA-N |
| Fcsp3 | 0.4705882352941176 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Piperodione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 317.126 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 317.126 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 317.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5558576782608697 |
| Inchi | InChI=1S/C17H19NO5/c19-13(12-4-7-15-16(10-12)23-11-22-15)5-6-14(20)17(21)18-8-2-1-3-9-18/h4,7,10H,1-3,5-6,8-9,11H2 |
| Smiles | C1CCN(CC1)C(=O)C(=O)CCC(=O)C2=CC3=C(C=C2)OCO3 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients