ethyl 2-(1-{1-[(3-methoxyphenyl)methyl]-6-oxopiperidin-3-yl}-N-methylformamido)acetate

• ChemBase ID: 449967
• Molecular Formular: C19H26N2O5
• Molecular Mass: 362.42014
• Monoisotopic Mass: 362.18417194
• SMILES: N1(C(=O)CCC(C(=O)N(CC(=O)OCC)C)C1)Cc1cc(OC)ccc1
• Canonical SMILES: CCOC(=O)CN(C(=O)C1CCC(=O)N(C1)Cc1cccc(c1)OC)C
• InChI: InChI=1S/C19H26N2O5/c1-4-26-18(23)13-20(2)19(24)15-8-9-17(22)21(12-15)11-14-6-5-7-16(10-14)25-3/h5-7,10,15H,4,8-9,11-13H2,1-3H3
• InChIKey: MXFILTLACBGHGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1-{1-[(3-methoxyphenyl)methyl]-6-oxopiperidin-3-yl}-N-methylformamido)acetate
• IUPAC Traditional name: ethyl 2-(1-{1-[(3-methoxyphenyl)methyl]-6-oxopiperidin-3-yl}-N-methylformamido)acetate
• Synonyms: ethyl N-{[1-(3-methoxybenzyl)-6-oxo-3-piperidinyl]carbonyl}-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.655184
• LogD (pH = 7.4): 0.6551841
• Log P: 0.6551841
• Molar Refractivity: 96.1352 cm^3
• Polarizability: 37.43864 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.79
• LOG S: -1.46
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 5