1-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-2-(methoxymethyl)piperidine

• ChemBase ID: 720494
• Molecular Formular: C24H34N2O5
• Molecular Mass: 430.53716
• Monoisotopic Mass: 430.2467722
• SMILES: C(=O)(c1c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC)N1C(COC)CCCC1
• Canonical SMILES: COCC1CCCCN1C(=O)c1cc(OC)ccc1OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C24H34N2O5/c1-29-16-18-5-3-4-12-26(18)24(28)21-15-20(30-2)8-9-22(21)31-19-10-13-25(14-11-19)23(27)17-6-7-17/h8-9,15,17-19H,3-7,10-14,16H2,1-2H3
• InChIKey: WEXMHVIRYOPVHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-2-(methoxymethyl)piperidine
• IUPAC Traditional name: 1-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-2-(methoxymethyl)piperidine
• Synonyms: 1-(2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-5-methoxybenzoyl)-2-(methoxymethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8525498
• LogD (pH = 7.4): 1.85255
• Log P: 1.8525501
• Molar Refractivity: 117.8334 cm^3
• Polarizability: 45.56356 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.24
• LOG S: -2.69
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 5