Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)N1CCN(CC1C)C1=CC(Cl)=NC(SCC(=O)NC2CCN(CC3=CC=CC=C3)CC2)=N1
InChIKey
InChIKey=RXVSEYARFNSACV-UHFFFAOYSA-N
Formula
C31H37ClN6O3S
Mass
609.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Piperidines
-
Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
-
Subclass
Benzylpiperidines
-
Class
Piperidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
N-arylpiperazines Benzamides Anisoles Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzylamines Dialkylarylamines Alkyl aryl ethers Alkylarylthioethers Aminopyrimidines and derivatives Aralkylamines Halopyrimidines Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylpiperidine - N-arylpiperazine - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Benzylamine - Aryl thioether - Phenol ether - Phenylmethylamine - Dialkylarylamine - Methoxybenzene - Aralkylamine - Alkylarylthioether - Aminopyrimidine - Halopyrimidine - Alkyl aryl ether - Aryl halide - Benzenoid - Imidolactam - Monocyclic benzene moiety - 1,4-diazinane - Aryl chloride - Piperazine - Pyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Thioether - Sulfenyl compound - Ether - Carboxylic acid derivative - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Organochloride - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available