2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(cyclopropylmethyl)-5-methoxybenzamide

• ChemBase ID: 555878
• Molecular Formular: C21H28N2O4
• Molecular Mass: 372.45802
• Monoisotopic Mass: 372.20490739
• SMILES: c1(C(=O)NCC2CC2)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCC1CC1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C21H28N2O4/c1-26-17-6-7-19(18(12-17)20(24)22-13-14-2-3-14)27-16-8-10-23(11-9-16)21(25)15-4-5-15/h6-7,12,14-16H,2-5,8-11,13H2,1H3,(H,22,24)
• InChIKey: QEPQTVHOSCSKRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(cyclopropylmethyl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(cyclopropylmethyl)-5-methoxybenzamide
• Synonyms: 2-{[1-(cyclopropylcarbonyl)piperidin-4-yl]oxy}-N-(cyclopropylmethyl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7247925
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5462933
• LogD (pH = 7.4): 1.5462934
• Log P: 1.5462936
• Molar Refractivity: 102.023 cm^3
• Polarizability: 39.340614 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.41
• LOG S: -3.12
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7