N-(2,3-dichlorophenyl)-2-[4-(2-pyridinyl)piperazino]acetamide - ≥90% , CAS No.329779-51-3

CAS: 329779-51-3 Cat. No.: N991348 Peso molecular: 365.300

GRADE & PURITY ≥90%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1CC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC=N3
• IUPAC Name: N-(2,3-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
• InChIKey: PCNZNIVBYSJFKW-UHFFFAOYSA-N
• INCHI: 1S/C17H18Cl2N4O/c18-13-4-3-5-14(17(13)19)21-16(24)12-22-8-10-23(11-9-22)15-6-1-2-7-20-15/h1-7H,8-12H2,(H,21,24)
• Peso molecular: 365.300

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: Alpha amino acid amides N-arylpiperazines N-piperazineacetamides Anilides N-arylamides Dichlorobenzenes Dialkylarylamines Aminopyridines and derivatives N-alkylpiperazines Imidolactams Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Pyridinylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Anilide - 1,2-dichlorobenzene - Dialkylarylamine - N-arylamide - Chlorobenzene - Aminopyridine - Halobenzene - N-alkylpiperazine - Imidolactam - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 365.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 364.086 Da
• Monoisotopic Mass: 364.086 Da
• Topological Polar Surface Area: 48.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 417.000
• 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