Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)N1CC[C@@H](CC([O-])=O)[C@@H](CC[NH+]2C[C@@H]3C[C@H](C2)C2=CC=CC(=O)N2C3)C1
InChIKey
InChIKey=OBWQZBHZTXULDO-XXTHSBEZSA-N
Formula
C28H35N3O5
Mass
493.604
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
- Level 5 1-benzoylpiperidines
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-benzoylpiperidines
Alternative Parents
Cytisine and derivatives N-benzoylpiperidines Benzamides Methoxybenzenes Phenoxy compounds Anisoles Aralkylamines Pyridinones Alkyl aryl ethers Quaternary ammonium salts Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Trialkylamines Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-benzoylpiperidine - 1-benzoylpiperidine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Alkaloid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyridinone - Piperidine - Pyridine - Tertiary carboxylic acid amide - Quaternary ammonium salt - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid salt - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organic salt - Organic zwitterion - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
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