Compound Identification
SMILES
CC1(C)COCN1C(=O)C1=CSC(=N1)C1CCN(CC1)C(=O)C1=C(F)C=CC=C1Cl
InChIKey
InChIKey=BMGPQIVITPUYDH-UHFFFAOYSA-N
Formula
C21H23ClFN3O3S
Mass
451.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
N-benzoylpiperidines 2-halobenzoic acids and derivatives Benzamides Thiazolecarboxamides 2-heteroaryl carboxamides 2,4-disubstituted thiazoles Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Oxazolidines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organochlorides Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpiperidine - 1-benzoylpiperidine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Chlorobenzene - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Piperidine - Aryl fluoride - Aryl halide - Aryl chloride - Heteroaromatic compound - Oxazolidine - Tertiary carboxylic acid amide - Thiazole - Vinylogous halide - Azole - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - 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