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

• ChemBase ID: 413809
• Molecular Formular: C18H26N4O3
• Molecular Mass: 346.42404
• Monoisotopic Mass: 346.20049071
• SMILES: C(=O)(N1CCC(NC(=O)CCc2cnccc2)CC1)N1CCOCC1
• Canonical SMILES: O=C(NC1CCN(CC1)C(=O)N1CCOCC1)CCc1cccnc1
• InChI: InChI=1S/C18H26N4O3/c23-17(4-3-15-2-1-7-19-14-15)20-16-5-8-21(9-6-16)18(24)22-10-12-25-13-11-22/h1-2,7,14,16H,3-6,8-13H2,(H,20,23)
• InChIKey: SUDNOAKYBGKGAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.433833
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.68828166
• LogD (pH = 7.4): -0.5976918
• Log P: -0.59636956
• Molar Refractivity: 93.7955 cm^3
• Polarizability: 36.188858 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.5
• LOG S: -1.31
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4