Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC1=NC=NC(NC2=NC=C(S2)C#N)=C1
InChIKey
InChIKey=UHPVZSPELLDXFS-UHFFFAOYSA-N
Formula
C18H22N6O3S
Mass
402.47
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
Aminopyrimidines and derivatives Alkyl aryl ethers 2,5-disubstituted thiazoles Imidolactams 2-amino-1,3-thiazoles Heteroaromatic compounds Carbamate esters Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - 1,3-thiazol-2-amine - Imidolactam - Azole - Heteroaromatic compound - Carbamic acid ester - Thiazole - Ether - Carbonitrile - Nitrile - Azacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Aromatic heteromonocyclic 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