(2E,12E)-Pipertridecadienamide
PubChem CID: 71665600
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| Compound Synonyms | CHEMBL2333558, (2E,12E)-Pipertridecadienamide |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,12E)-13-(1,3-benzodioxol-5-yl)-1-piperidin-1-yltrideca-2,12-dien-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C25H35NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JFGPNOXTEWMCEU-WFYKWJGLSA-N |
| Fcsp3 | 0.56 |
| Logs | -6.372 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.338 |
| Compound Name | (2E,12E)-Pipertridecadienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 397.262 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 397.262 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 397.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -6.264969248275863 |
| Inchi | InChI=1S/C25H35NO3/c27-25(26-18-12-9-13-19-26)15-11-8-6-4-2-1-3-5-7-10-14-22-16-17-23-24(20-22)29-21-28-23/h10-11,14-17,20H,1-9,12-13,18-19,21H2/b14-10+,15-11+ |
| Smiles | C1CCN(CC1)C(=O)/C=C/CCCCCCCC/C=C/C2=CC3=C(C=C2)OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients