N-cyclobutyl-2-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 580885
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C(=O)(c1c(OC2CCN(Cc3ncccc3)CC2)cccc1)NC1CCC1
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)Cc1ccccn1)NC1CCC1
• InChI: InChI=1S/C22H27N3O2/c26-22(24-17-7-5-8-17)20-9-1-2-10-21(20)27-19-11-14-25(15-12-19)16-18-6-3-4-13-23-18/h1-4,6,9-10,13,17,19H,5,7-8,11-12,14-16H2,(H,24,26)
• InChIKey: CCQCMRKEAPIVDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-2-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-cyclobutyl-2-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-cyclobutyl-2-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.241748
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.80608594
• LogD (pH = 7.4): 2.2372773
• Log P: 2.4151027
• Molar Refractivity: 105.6931 cm^3
• Polarizability: 41.016098 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.92
• LOG S: -2.2
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6