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

CAS: 39546-32-2 Cat. No.: P122896 Summenformel: C₆H₁₂N₂O Molekulargewicht: 128.17 Beilstein Registry Number: 112554 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504750710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750710
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1CNCCC1C(=O)N
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 145-148℃
• Molekulargewicht: 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