3-[(1-cyclobutylpiperidin-4-yl)oxy]-N-(2-phenylethyl)benzamide

• ChemBase ID: 338228
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: N1(CCC(Oc2cc(C(=O)NCCc3ccccc3)ccc2)CC1)C1CCC1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C1CCC1)NCCc1ccccc1
• InChI: InChI=1S/C24H30N2O2/c27-24(25-15-12-19-6-2-1-3-7-19)20-8-4-11-23(18-20)28-22-13-16-26(17-14-22)21-9-5-10-21/h1-4,6-8,11,18,21-22H,5,9-10,12-17H2,(H,25,27)
• InChIKey: KEMZDQANAUBJQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cyclobutylpiperidin-4-yl)oxy]-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 3-[(1-cyclobutylpiperidin-4-yl)oxy]-N-(2-phenylethyl)benzamide
• Synonyms: 3-[(1-cyclobutyl-4-piperidinyl)oxy]-N-(2-phenylethyl)benzamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 1
• Log P: 3.87
• LOG S: -5.65
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3

JChem

• LogD (pH = 5.5): 0.6203376
• LogD (pH = 7.4): 2.19553
• Log P: 3.8399646
• Molar Refractivity: 113.1272 cm^3
• Polarizability: 43.769825 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 14.597243
• H Acceptors: 3
• H Donor: 1