Compound Identification
SMILES
OC(=O)C(F)(F)F.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCC(CC3)C(=O)N3CCC(CNC(=O)CNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)CC3)cc2)c(O)cc1O
InChIKey
InChIKey=JPSIZRSIPISAPH-LMDYQTDMSA-N
Formula
C53H59ClF3N11O8S
Mass
1102.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Piperidines
-
Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
-
Subclass
Benzylpiperidines
-
Class
Piperidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenyl-1,2,4-triazoles Aryl 1,2,4-triazolones Thienodiazepines Piperidinecarboxamides Phenylpropanes N-acylpiperidines Cumenes Resorcinols Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids 1,4-diazepines Aryl chlorides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Alpha-halocarboxylic acids Trialkylamines Secondary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
N-benzylpiperidine - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Aryl 1,2,4-triazol-3-one - Phenyl-1,2,4-triazole - Phenyltriazole - Thieno-para-diazepine - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Piperidinecarboxamide - Phenylpropane - N-acyl-piperidine - Cumene - Resorcinol - Phenylmethylamine - Benzylamine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Halobenzene - Chlorobenzene - Para-diazepine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - 1,2,4-triazole - Triazole - Thiophene - Tertiary carboxylic acid amide - Azole - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ketimine - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Imine - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available