N-(butan-2-yl)piperidine-4-carboxamide

• ChemBase ID: 311633
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(NC(CC)C)C1CCNCC1
• Canonical SMILES: CCC(NC(=O)C1CCNCC1)C
• InChI: InChI=1S/C10H20N2O/c1-3-8(2)12-10(13)9-4-6-11-7-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
• InChIKey: DYFRVVYYUVJLHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(sec-butyl)piperidine-4-carboxamide
• Synonyms: N-(sec-butyl)piperidine-4-carboxamide

Database IDs

• CAS Number: 884497-62-5
• MDL Number: MFCD05863702

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6331005
• LogD (pH = 7.4): -2.048673
• Log P: 0.592871
• Molar Refractivity: 53.4856 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 41.13 Å^2