4-Piperidinecarboxamide - ≥98% , CAS No.39546-32-2

CAS: 39546-32-2 Cat. No.: P122896 Fórmula: C₆H₁₂N₂O Peso molecular: 128.17 Beilstein Registry Number: 112554 Número EC: 254-501-6

GRADE & PURITY ≥98%

Synonyms

4-carboxamidopiperidine | Piperidine-4-carboxamide | SY005311 | A6617 | TS-01685 | 4-Piperidinecarboxamide, 97% | SCHEMBL12461666 | 1219803-20-9 | AKOS000119354 | Piperidin-4-carboxylic amide | CZE2810T4X | EINECS 254-501-6 | EN300-20201 | Q63392690 | SCH

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reactant for synthesis of: 1.Survival motor neuron (SMN) protein modulators. 2.Diaminotriazine hNav1.7 inhibitors. 3.Heteroalicyclic carboxamidines as inhibitors of inducible nitric oxide synthase. 4.Orally available naphthyridine protein kinase D inhibitors. 5.Phosphodiesterase 5 inhibitors. 6.Reactant for identification of small molecular inhibitors of importin-β mediated nublear import.

Specifications

Sinónimos

4-carboxamidopiperidine | Piperidine-4-carboxamide | SY005311 | A6617 | TS-01685 | 4-Piperidinecarboxamide, 97% | SCHEMBL12461666 | 1219803-20-9 | AKOS000119354 | Piperidin-4-carboxylic amide | CZE2810T4X | EINECS 254-501-6 | EN300-20201 | Q63392690 | SCH

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504750710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750710
• Sonrisas canónicas: C1CNCCC1C(=O)N
• IUPAC Name: piperidine-4-carboxamide
• InChIKey: DPBWFNDFMCCGGJ-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)
• Isómeros SMILES: C1CNCCC1C(=O)N
• WGK Alemania: 3
• Peso molecular: 128.17
• Beilstein: 112554
• Reaxy-Rn: 112554
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112554&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxamides
• Alternative Parents: Primary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxamide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxamides. These are compounds containing a piperidine ring substituted with a carboxamide functional 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

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 145-148℃
• Peso molecular: 128.169 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.095 Da
• Monoisotopic Mass: 128.095 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 108.000
• 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