3-(4-(pyridin-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one , CAS No.324068-19-1

CAS: 324068-19-1 Cat. No.: P955728 Peso molecular: 335.400

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4OC3=O
• IUPAC Name: 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one
• InChIKey: NFTZWFHLTIYHDJ-UHFFFAOYSA-N
• INCHI: 1S/C19H17N3O3/c23-18(15-13-14-5-1-2-6-16(14)25-19(15)24)22-11-9-21(10-12-22)17-7-3-4-8-20-17/h1-8,13H,9-12H2
• Peso molecular: 335.400

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: N-arylpiperazines Coumarins and derivatives 1-benzopyrans Dialkylarylamines Pyranones and derivatives Aminopyridines and derivatives Benzenoids Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Coumarin - Benzopyran - 1-benzopyran - Dialkylarylamine - Aminopyridine - Pyranone - Pyran - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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: 335.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 335.127 Da
• Monoisotopic Mass: 335.127 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 554.000
• 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