4-methoxy-N-(2-methoxyethyl)-2-({1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-4-yl}oxy)benzamide

• ChemBase ID: 571334
• Molecular Formular: C25H32N2O4
• Molecular Mass: 424.53258
• Monoisotopic Mass: 424.23620751
• SMILES: c1(c(cc(cc1)OC)OC1CCN(CC1)C/C=C/c1ccccc1)C(=O)NCCOC
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)C/C=C/c1ccccc1)C(=O)NCCOC
• InChI: InChI=1S/C25H32N2O4/c1-29-18-14-26-25(28)23-11-10-22(30-2)19-24(23)31-21-12-16-27(17-13-21)15-6-9-20-7-4-3-5-8-20/h3-11,19,21H,12-18H2,1-2H3,(H,26,28)/b9-6+
• InChIKey: JDHVZQXTDOOMCP-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(2-methoxyethyl)-2-({1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-4-yl}oxy)benzamide
• IUPAC Traditional name: 4-methoxy-N-(2-methoxyethyl)-2-({1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-4-yl}oxy)benzamide
• Synonyms: 4-methoxy-N-(2-methoxyethyl)-2-({1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}oxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198495
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.60453117
• LogD (pH = 7.4): 2.365579
• Log P: 3.0464392
• Molar Refractivity: 124.3853 cm^3
• Polarizability: 47.528778 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.34
• LOG S: -4.86
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 8