3-[(1-cyclobutylpiperidin-4-yl)oxy]-N-cyclopropyl-4-methoxybenzamide

• ChemBase ID: 325254
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: C(=O)(NC1CC1)c1cc(OC2CCN(CC2)C2CCC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C1CCC1)C(=O)NC1CC1
• InChI: InChI=1S/C20H28N2O3/c1-24-18-8-5-14(20(23)21-15-6-7-15)13-19(18)25-17-9-11-22(12-10-17)16-3-2-4-16/h5,8,13,15-17H,2-4,6-7,9-12H2,1H3,(H,21,23)
• InChIKey: JLRJZWHSYPKMPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.807403
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0293154
• LogD (pH = 7.4): 0.59550375
• Log P: 2.1347234
• Molar Refractivity: 97.434 cm^3
• Polarizability: 37.794777 Å^3
• Polar Surface Area: 50.8 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: 1.8
• LOG S: -3.95
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5