N-(piperidin-4-yl)oxane-4-carboxamide

• ChemBase ID: 272069
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: C(=O)(NC1CCNCC1)C1CCOCC1
• Canonical SMILES: O=C(C1CCOCC1)NC1CCNCC1
• InChI: InChI=1S/C11H20N2O2/c14-11(9-3-7-15-8-4-9)13-10-1-5-12-6-2-10/h9-10,12H,1-8H2,(H,13,14)
• InChIKey: NMZCRJQUVDJFNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)oxane-4-carboxamide
• IUPAC Traditional name: N-(piperidin-4-yl)oxane-4-carboxamide
• Synonyms: N-(piperidin-4-yl)oxane-4-carboxamide

Database IDs

• MDL Number: MFCD11642775
• PubChem SID: 164327979
• PubChem CID: 43345755

CALCULATED PROPERTIES

• Acid pKa: 15.836659
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9620547
• LogD (pH = 7.4): -3.277746
• Log P: -0.7418483
• Molar Refractivity: 58.2697 cm^3
• Polarizability: 22.96912 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): -1.834

Product Information

• Purity: 95%