Amiperone , CAS No.1580-71-8

CAS: 1580-71-8 Cat. No.: A667952 Formula: C₂₄H₂₈ClFN₂O₂ Peso molecolare: 430.9 PubChem CID: 71101

Synonyms

Amiperone | Paraperidide | Paraperidine | Amiperone [INN] | R 2962 | NSC 170979 | NSC-170979 | 4-(p-Chlorophenyl)-1-(3-(p-fluorobenzoyl)propyl)-N,N-dimethylisonipecotamide | FTX5V7543O | R-2962 | NSC170979 | 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxob

Storage

Room temperature

Specifiche

Sinonimi

Amiperone | Paraperidide | Paraperidine | Amiperone [INN] | R 2962 | NSC 170979 | NSC-170979 | 4-(p-Chlorophenyl)-1-(3-(p-fluorobenzoyl)propyl)-N,N-dimethylisonipecotamide | FTX5V7543O | R-2962 | NSC170979 | 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxob

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

3.5

Nomi e identificatori

Sorrisi canonici

CN(C)C(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

IUPAC Name

4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethylpiperidine-4-carboxamide

InChIKey

WMVSIGOLIQMRHF-UHFFFAOYSA-N

INCHI

1S/C24H28ClFN2O2/c1-27(2)23(30)24(19-7-9-20(25)10-8-19)13-16-28(17-14-24)15-3-4-22(29)18-5-11-21(26)12-6-18/h5-12H,3-4,13-17H2,1-2H3

Isomeri SMILES

CN(C)C(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

PubChem CID

71101

Peso molecolare

430.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpiperidines Phenylbutylamines Butyrophenones Phenylacetamides Piperidinecarboxamides Aryl alkyl ketones Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Gamma-amino ketones Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpiperidine - Phenylbutylamine - Butyrophenone - Phenylacetamide - Piperidinecarboxamide - Benzoyl - Aryl alkyl ketone - Halobenzene - Aralkylamine - Fluorobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Gamma-aminoketone - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

DRD3 Tclin D(3) dopamine receptor (1 Activities)

Discover Target: DRD3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 430.900 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 430.182 Da
• Monoisotopic Mass: 430.182 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 576.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1