Compound Identification
SMILES
CCOC(=O)C1CCN(CCNC2=NC=C3N=CN=C(NC4=CC(Cl)=C(F)C=C4)C3=N2)CC1
InChIKey
InChIKey=YPCNQUHZUZIKKZ-UHFFFAOYSA-N
Formula
C22H25ClFN7O2
Mass
473.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Aniline and substituted anilines Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Carboxylic acid esters Trialkylamines Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Aniline or substituted anilines - Chlorobenzene - Aminopyrimidine - Halobenzene - Fluorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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