N-butylpiperidine-4-carboxamide

• ChemBase ID: 256735
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(C1CCNCC1)NCCCC
• Canonical SMILES: CCCCNC(=O)C1CCNCC1
• InChI: InChI=1S/C10H20N2O/c1-2-3-6-12-10(13)9-4-7-11-8-5-9/h9,11H,2-8H2,1H3,(H,12,13)
• InChIKey: GKCROKLQKJMQMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butylpiperidine-4-carboxamide
• IUPAC Traditional name: N-butylpiperidine-4-carboxamide
• Synonyms: N-butylpiperidine-4-carboxamide

Database IDs

• CAS Number: 73415-55-1
• MDL Number: MFCD08444675
• PubChem SID: 164312645
• PubChem CID: 16228130

CALCULATED PROPERTIES

• Acid pKa: 16.312094
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.605108
• LogD (pH = 7.4): -2.0206795
• Log P: 0.6208646
• Molar Refractivity: 53.6678 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C
• Hydrophobicity(logP): 0.121

Product Information

• Purity: 95%