2-[(1-acetylpiperidin-4-yl)oxy]-5-methoxy-N-(2-phenylpropyl)benzamide

• ChemBase ID: 315228
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: c1(C(=O)NCC(c2ccccc2)C)c(OC2CCN(C(=O)C)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCC(c1ccccc1)C)OC1CCN(CC1)C(=O)C
• InChI: InChI=1S/C24H30N2O4/c1-17(19-7-5-4-6-8-19)16-25-24(28)22-15-21(29-3)9-10-23(22)30-20-11-13-26(14-12-20)18(2)27/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,25,28)
• InChIKey: GYLCHLNKDUNFFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-acetylpiperidin-4-yl)oxy]-5-methoxy-N-(2-phenylpropyl)benzamide
• IUPAC Traditional name: 2-[(1-acetylpiperidin-4-yl)oxy]-5-methoxy-N-(2-phenylpropyl)benzamide
• Synonyms: 2-[(1-acetyl-4-piperidinyl)oxy]-5-methoxy-N-(2-phenylpropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.720339
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.364027
• LogD (pH = 7.4): 2.364027
• Log P: 2.3640273
• Molar Refractivity: 116.521 cm^3
• Polarizability: 44.844543 Å^3
• Polar Surface Area: 67.87 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: 2.17
• LOG S: -4.79
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6