4-({2-[6-(piperidine-1-carbonyl)pyrazin-2-yl]phenyl}methyl)morpholine

• ChemBase ID: 502229
• Molecular Formular: C21H26N4O2
• Molecular Mass: 366.45674
• Monoisotopic Mass: 366.20557609
• SMILES: c1(nc(c2c(CN3CCOCC3)cccc2)cnc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1cncc(n1)c1ccccc1CN1CCOCC1)N1CCCCC1
• InChI: InChI=1S/C21H26N4O2/c26-21(25-8-4-1-5-9-25)20-15-22-14-19(23-20)18-7-3-2-6-17(18)16-24-10-12-27-13-11-24/h2-3,6-7,14-15H,1,4-5,8-13,16H2
• InChIKey: BZNUZROTWRABJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-[6-(piperidine-1-carbonyl)pyrazin-2-yl]phenyl}methyl)morpholine
• IUPAC Traditional name: 4-({2-[6-(piperidine-1-carbonyl)pyrazin-2-yl]phenyl}methyl)morpholine
• Synonyms: 4-{2-[6-(piperidin-1-ylcarbonyl)pyrazin-2-yl]benzyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.39512154
• LogD (pH = 7.4): 1.7038176
• Log P: 1.8280818
• Molar Refractivity: 104.7674 cm^3
• Polarizability: 41.50655 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.29
• LOG S: -2.97
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4