2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-(2-methoxyethyl)-N-methylbenzamide

• ChemBase ID: 782501
• Molecular Formular: C21H30N2O5
• Molecular Mass: 390.4733
• Monoisotopic Mass: 390.21547207
• SMILES: c1(C(=O)N(CCOC)C)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COCCN(C(=O)c1cc(OC)ccc1OC1CCN(CC1)C(=O)C1CC1)C
• InChI: InChI=1S/C21H30N2O5/c1-22(12-13-26-2)21(25)18-14-17(27-3)6-7-19(18)28-16-8-10-23(11-9-16)20(24)15-4-5-15/h6-7,14-16H,4-5,8-13H2,1-3H3
• InChIKey: ZLUFALJYUBLSEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
• IUPAC Traditional name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
• Synonyms: 2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-5-methoxy-N-(2-methoxyethyl)-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9424166
• LogD (pH = 7.4): 0.9424169
• Log P: 0.9424169
• Molar Refractivity: 106.0212 cm^3
• Polarizability: 40.77771 Å^3
• Polar Surface Area: 68.31 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: 0.19
• LOG S: -2.12
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6