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

• ChemBase ID: 675523
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: C(=O)(NC1CC1)c1cc(OC2CCN(Cc3ccccc3)CC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)Cc1ccccc1)C(=O)NC1CC1
• InChI: InChI=1S/C23H28N2O3/c1-27-21-10-7-18(23(26)24-19-8-9-19)15-22(21)28-20-11-13-25(14-12-20)16-17-5-3-2-4-6-17/h2-7,10,15,19-20H,8-9,11-14,16H2,1H3,(H,24,26)
• InChIKey: BFCXBGOVWGOSGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.807403
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.09325316
• LogD (pH = 7.4): 1.8483561
• Log P: 2.9490635
• Molar Refractivity: 110.2344 cm^3
• Polarizability: 42.58934 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.94
• LOG S: -4.37
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6