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

• ChemBase ID: 781027
• Molecular Formular: C23H32N2O5
• Molecular Mass: 416.51058
• Monoisotopic Mass: 416.23112213
• SMILES: c1(C(=O)NCC2CCOCC2)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCC1CCOCC1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C23H32N2O5/c1-28-19-4-5-21(20(14-19)22(26)24-15-16-8-12-29-13-9-16)30-18-6-10-25(11-7-18)23(27)17-2-3-17/h4-5,14,16-18H,2-3,6-13,15H2,1H3,(H,24,26)
• InChIKey: DWTKGNSDPQNDEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.724753
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1875029
• LogD (pH = 7.4): 1.187503
• Log P: 1.1875032
• Molar Refractivity: 113.3745 cm^3
• Polarizability: 43.72834 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.28
• LOG S: -4.21
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 6