N-(oxan-4-yl)-3-(piperidin-3-yl)benzamide

• ChemBase ID: 739047
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: C(=O)(NC1CCOCC1)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)C1CCCNC1)NC1CCOCC1
• InChI: InChI=1S/C17H24N2O2/c20-17(19-16-6-9-21-10-7-16)14-4-1-3-13(11-14)15-5-2-8-18-12-15/h1,3-4,11,15-16,18H,2,5-10,12H2,(H,19,20)
• InChIKey: GXALTHGUYGMRAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxan-4-yl)-3-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-(oxan-4-yl)-3-(piperidin-3-yl)benzamide
• Synonyms: 3-piperidin-3-yl-N-(tetrahydro-2H-pyran-4-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.101243
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0243754
• LogD (pH = 7.4): -1.282073
• Log P: 1.1917669
• Molar Refractivity: 83.8526 cm^3
• Polarizability: 32.25523 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.35
• LOG S: -2.46
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3