ethyl 2-(1-{3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxyphenyl}-N-methylformamido)acetate

• ChemBase ID: 553171
• Molecular Formular: C20H28N2O6
• Molecular Mass: 392.44612
• Monoisotopic Mass: 392.19473663
• SMILES: C(=O)(N(CC(=O)OCC)C)c1cc(OC2CCN(C(=O)C)CC2)c(cc1)OC
• Canonical SMILES: CCOC(=O)CN(C(=O)c1ccc(c(c1)OC1CCN(CC1)C(=O)C)OC)C
• InChI: InChI=1S/C20H28N2O6/c1-5-27-19(24)13-21(3)20(25)15-6-7-17(26-4)18(12-15)28-16-8-10-22(11-9-16)14(2)23/h6-7,12,16H,5,8-11,13H2,1-4H3
• InChIKey: UFYBJFJXXDXKSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1-{3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxyphenyl}-N-methylformamido)acetate
• IUPAC Traditional name: ethyl 2-(1-{3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxyphenyl}-N-methylformamido)acetate
• Synonyms: ethyl N-{3-[(1-acetyl-4-piperidinyl)oxy]-4-methoxybenzoyl}-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.19028138
• LogD (pH = 7.4): 0.1902815
• Log P: 0.1902815
• Molar Refractivity: 103.1808 cm^3
• Polarizability: 39.77536 Å^3
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.02
• LOG S: -1.95
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 5