3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide

• ChemBase ID: 450395
• Molecular Formular: C23H34N2O5
• Molecular Mass: 418.52646
• Monoisotopic Mass: 418.2467722
• SMILES: C(=O)(c1cc(OC2CCN(C(=O)C)CC2)c(cc1)OC)N(CCC1OCCCC1)C
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(=O)C)C(=O)N(CCC1CCCCO1)C
• InChI: InChI=1S/C23H34N2O5/c1-17(26)25-13-10-20(11-14-25)30-22-16-18(7-8-21(22)28-3)23(27)24(2)12-9-19-6-4-5-15-29-19/h7-8,16,19-20H,4-6,9-15H2,1-3H3
• InChIKey: ZGUYLZWFCSAOGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide
• IUPAC Traditional name: 3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide
• Synonyms: 3-[(1-acetyl-4-piperidinyl)oxy]-4-methoxy-N-methyl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1327134
• LogD (pH = 7.4): 1.1327136
• Log P: 1.1327136
• Molar Refractivity: 115.2996 cm^3
• Polarizability: 44.447914 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: 0.63
• LOG S: -2.73
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6