Piperidinylbenzopyranone
PubChem CID: 22142121
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| Compound Synonyms | piperidinylbenzopyranone, SCHEMBL5867498 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCCC2CC1C1CCCCC1 |
| Np Classifier Class | Simple coumarins |
| Deep Smiles | O=cocccccc6cc%10NCCCCC6 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Coumarins and derivatives |
| Scaffold Graph Node Level | OC1OC2CCCCC2CC1N1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-piperidin-1-ylchromen-2-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H15NO2 |
| Scaffold Graph Node Bond Level | O=c1oc2ccccc2cc1N1CCCCC1 |
| Inchi Key | OMIKFYMTCNIDQF-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | piperidinylbenzopyranone |
| Esol Class | Soluble |
| Functional Groups | c=O, cN(C)C, coc |
| Compound Name | Piperidinylbenzopyranone |
| Exact Mass | 229.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 229.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H15NO2/c16-14-12(15-8-4-1-5-9-15)10-11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,1,4-5,8-9H2 |
| Smiles | C1CCN(CC1)C2=CC3=CC=CC=C3OC2=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Coumarins |
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