Compound Identification
SMILES
COC1=NC=C(NC(=O)C2=CSC(=N2)C2CCN(CC2)C(=O)C2=C(F)C=CC=C2Cl)C=C1
InChIKey
InChIKey=XHIIDELERJLDSB-UHFFFAOYSA-N
Formula
C22H20ClFN4O3S
Mass
474.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoyl derivatives
- Level 5 1-benzoylpiperidines
-
Subclass
Benzoyl derivatives
-
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
N-benzoylpiperidines 2-halobenzoic acids and derivatives Benzamides Thiazolecarboxamides 2-heteroaryl carboxamides Chlorobenzenes Fluorobenzenes Alkyl aryl ethers 2,4-disubstituted thiazoles Aryl chlorides Pyridines and derivatives Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpiperidine - 1-benzoylpiperidine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Fluorobenzene - Chlorobenzene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Aryl fluoride - Pyridine - Piperidine - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Azole - Vinylogous halide - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic 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