4-Benzoyl-piperazine-1-carboxylic acid amide - ≥97% , CAS No.100138-46-3

CAS: 100138-46-3 Cat. No.: B344925 Peso molecular: 233.27

GRADE & PURITY ≥97%

Synonyms

AKOS015996608 | 4-Benzoyl-piperazine-1-carboxylic acid amide | 4-benzoylpiperazine-1-carboxylic acid amide | FT-0642417 | MFCD08437495 | 4-Benzoyl-piperazine-1-carboxylicacidamide | DTXSID10590447 | J-000053 | 4-benzoylpiperazine-1-carboxamide

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015996608 | 4-Benzoyl-piperazine-1-carboxylic acid amide | 4-benzoylpiperazine-1-carboxylic acid amide | FT-0642417 | MFCD08437495 | 4-Benzoyl-piperazine-1-carboxylicacidamide | DTXSID10590447 | J-000053 | 4-benzoylpiperazine-1-carboxamide

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488199527
• Sonrisas canónicas: C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)N
• IUPAC Name: 4-benzoylpiperazine-1-carboxamide
• InChIKey: SFEIMHKHXPBUCT-UHFFFAOYSA-N
• INCHI: 1S/C12H15N3O2/c13-12(17)15-8-6-14(7-9-15)11(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,17)
• Isómeros SMILES: C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)N
• Peso molecular: 233.27
• Reaxy-Rn: 226557
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=226557&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines
        • Level5 Piperazine carboxylic acids and derivatives
          • Level6 Piperazine carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Piperazine carboxylic acids and derivatives
• Direct Parent: Piperazine carboxamides
• Alternative Parents: Benzamides Benzoyl derivatives Tertiary carboxylic acid amides Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoic acid or derivatives - Piperazine-1-carboxamide - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Urea - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperazine carboxamides. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxamide 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

Propiedades químicas y físicas

• Peso molecular: 233.270 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.116 Da
• Monoisotopic Mass: 233.116 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 292.000
• 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