Piperdardine
PubChem CID: 10086948
Connections displayed (default: 10).
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| Compound Synonyms | Piperdardine, SCHEMBL15471330, SCHEMBL17073998, AKOS040735490 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H23NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FNECAUUPWFQEGF-RPFQBYKKSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -4.683 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.306 |
| Compound Name | Piperdardine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 313.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.168 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 313.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.13160487826087 |
| Inchi | InChI=1S/C19H23NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,5,9-11,14H,3-4,6-8,12-13,15H2/b2-1+,9-5+ |
| Smiles | C1CCN(CC1)C(=O)/C=C/C=C/CCC2=CC3=C(C=C2)OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients