| Sonrisas canónicas | COC1=CC=CC(=C1)C(=O)N2CCC(=O)CC2 |
|---|---|
| IUPAC Name | 1-(3-methoxybenzoyl)piperidin-4-one |
| InChIKey | SSRPCQATKQCALS-UHFFFAOYSA-N |
| INCHI | 1S/C13H15NO3/c1-17-12-4-2-3-10(9-12)13(16)14-7-5-11(15)6-8-14/h2-4,9H,5-8H2,1H3 |
| Peso molecular | 233.260 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzoylpiperidines |
| Alternative Parents | N-benzoylpiperidines Benzamides Phenoxy compounds Methoxybenzenes Anisoles Piperidinones Alkyl aryl ethers Tertiary carboxylic acid amides Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzoylpiperidine - 1-benzoylpiperidine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Piperidinone - Piperidine - Tertiary carboxylic acid amide - Cyclic ketone - Carboxamide group - Ketone - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group. |
| External Descriptors | Not available |
| Peso molecular | 233.260 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 233.105 Da |
| Monoisotopic Mass | 233.105 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
