N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-2-(pyridin-3-yl)acetamide

• ChemBase ID: 554267
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: C(=O)(N1CCC(NC(=O)Cc2cnccc2)CC1)N1CCOCC1
• Canonical SMILES: O=C(Cc1cccnc1)NC1CCN(CC1)C(=O)N1CCOCC1
• InChI: InChI=1S/C17H24N4O3/c22-16(12-14-2-1-5-18-13-14)19-15-3-6-20(7-4-15)17(23)21-8-10-24-11-9-21/h1-2,5,13,15H,3-4,6-12H2,(H,19,22)
• InChIKey: ZBNXPXUJFIDBLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-2-(pyridin-3-yl)acetamide
• Synonyms: N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.300594
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1219808
• LogD (pH = 7.4): -1.0420853
• Log P: -1.0409383
• Molar Refractivity: 89.1945 cm^3
• Polarizability: 34.353706 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.03
• LOG S: -0.75
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 3