2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(oxan-2-ylmethyl)benzamide

• ChemBase ID: 403719
• Molecular Formular: C24H34N2O5
• Molecular Mass: 430.53716
• Monoisotopic Mass: 430.2467722
• SMILES: c1(C(=O)N(CC2OCCCC2)C)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N(CC1CCCCO1)C)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C24H34N2O5/c1-25(16-20-5-3-4-14-30-20)24(28)21-15-19(29-2)8-9-22(21)31-18-10-12-26(13-11-18)23(27)17-6-7-17/h8-9,15,17-18,20H,3-7,10-14,16H2,1-2H3
• InChIKey: SJNTUXBMTOHCOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(oxan-2-ylmethyl)benzamide
• IUPAC Traditional name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(oxan-2-ylmethyl)benzamide
• Synonyms: 2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-5-methoxy-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)benzamide

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: 45.56362 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: 1.17
• LOG S: -3.25
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6