piperidine-1-carboxamide

• ChemBase ID: 138726
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C1CCN(CC1)C(=O)N
• Canonical SMILES: NC(=O)N1CCCCC1
• InChI: InChI=1S/C6H12N2O/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)
• InChIKey: JSPCTNUQYWIIOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-1-carboxamide
• IUPAC Traditional name: 1-piperidinecarboxamide
• Synonyms: 1-Carbamylpiperidine; 1-Piperidinecarboxamide; Piperidine-1-carboxylic acid amide; 1-氨基甲酰基哌啶; 1-哌啶甲酰胺

Database IDs

• CAS Number: 2158-03-4
• EC Number: 218-476-5
• MDL Number: MFCD00075305
• PubChem SID: 24861277; 162232977
• PubChem CID: 72887

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.066115595
• Log P: -0.066115595
• Molar Refractivity: 35.078 cm^3
• Polarizability: 13.415068 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 16.231316
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.066115655

PROPERTIES

Physical Property

• Melting Point: 104-106 °C(lit.); 99 - 101°C
• Hydrophobicity(logP): -0.795

Safety Information

• RTECS: TM5975700
• German water hazard class: 3

Product Information

• Purity: 95%; 99%
• Empirical Formula (Hill Notation): C6H12N2O