2-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(3-methoxypropyl)benzamide

• ChemBase ID: 492773
• Molecular Formular: C19H28N2O5
• Molecular Mass: 364.43602
• Monoisotopic Mass: 364.19982201
• SMILES: c1(C(=O)NCCCOC)c(OC2CCN(C(=O)COC)CC2)cccc1
• Canonical SMILES: COCCCNC(=O)c1ccccc1OC1CCN(CC1)C(=O)COC
• InChI: InChI=1S/C19H28N2O5/c1-24-13-5-10-20-19(23)16-6-3-4-7-17(16)26-15-8-11-21(12-9-15)18(22)14-25-2/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,23)
• InChIKey: SWLOQNKANINFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(3-methoxypropyl)benzamide
• IUPAC Traditional name: 2-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(3-methoxypropyl)benzamide
• Synonyms: 2-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-(3-methoxypropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.137094
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.01754603
• LogD (pH = 7.4): -0.01754601
• Log P: -0.017545937
• Molar Refractivity: 98.5809 cm^3
• Polarizability: 37.84461 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.35
• LOG S: -2.85
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 7