Compound Identification
SMILES
COC(=O)C1=C(CN2C3COCC2CC(C3)C(O)=O)NC(=N[C@H]1C1=C(Cl)C=C(F)C=C1)C1=NC(C)=CS1
InChIKey
InChIKey=PFHXWTIBOLSTEX-NIPCIUJPSA-N
Formula
C25H26ClFN4O5S
Mass
549.01
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
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Subclass
Piperidinecarboxylic acids and derivatives
- Level 5 Piperidinecarboxylic acids
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Subclass
Piperidinecarboxylic acids and derivatives
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
2,4-disubstituted thiazoles Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Morpholines Imidolactams Hydropyrimidines Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Trialkylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxamidines Carboximidamides Enamines Dialkyl ethers Carboxylic acids Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Chlorobenzene - Morpholine - Aryl chloride - Hydropyrimidine - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Imidolactam - Monocyclic benzene moiety - Oxazinane - Benzenoid - Heteroaromatic compound - Azole - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Thiazole - Methyl ester - Enoate ester - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid - Amidine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid amidine - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Carboximidamide - Dialkyl ether - Enamine - Ether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
External Descriptors
Not available