methyl 2-(1-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]phenyl}-N-methylformamido)acetate

• ChemBase ID: 822402
• Molecular Formular: C20H26N2O5
• Molecular Mass: 374.43084
• Monoisotopic Mass: 374.18417194
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)N(CC(=O)OC)C)cc1)C1CC1
• Canonical SMILES: COC(=O)CN(C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)C
• InChI: InChI=1S/C20H26N2O5/c1-21(13-18(23)26-2)19(24)14-5-7-16(8-6-14)27-17-9-11-22(12-10-17)20(25)15-3-4-15/h5-8,15,17H,3-4,9-13H2,1-2H3
• InChIKey: BPPYBDZZMHKOSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(1-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]phenyl}-N-methylformamido)acetate
• IUPAC Traditional name: methyl 2-(1-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]phenyl}-N-methylformamido)acetate
• Synonyms: methyl N-(4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}benzoyl)-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7709407
• LogD (pH = 7.4): 0.770941
• Log P: 0.770941
• Molar Refractivity: 99.3682 cm^3
• Polarizability: 38.3459 Å^3
• Polar Surface Area: 76.15 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: 0.16
• LOG S: -2.83
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 6