2-(2-phenylethyl)-4-[1-(pyrazine-2-carbonyl)piperidin-4-yl]morpholine

• ChemBase ID: 565477
• Molecular Formular: C22H28N4O2
• Molecular Mass: 380.48332
• Monoisotopic Mass: 380.22122616
• SMILES: C(=O)(N1CCC(N2CC(OCC2)CCc2ccccc2)CC1)c1nccnc1
• Canonical SMILES: O=C(c1cnccn1)N1CCC(CC1)N1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C22H28N4O2/c27-22(21-16-23-10-11-24-21)25-12-8-19(9-13-25)26-14-15-28-20(17-26)7-6-18-4-2-1-3-5-18/h1-5,10-11,16,19-20H,6-9,12-15,17H2
• InChIKey: PZWYWSZVOWEVTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethyl)-4-[1-(pyrazine-2-carbonyl)piperidin-4-yl]morpholine
• IUPAC Traditional name: 2-(2-phenylethyl)-4-[1-(pyrazine-2-carbonyl)piperidin-4-yl]morpholine
• Synonyms: 2-(2-phenylethyl)-4-[1-(2-pyrazinylcarbonyl)-4-piperidinyl]morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.15
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 0
• Log P: 1.38

JChem

• Molar Refractivity: 108.4084 cm^3
• Polarizability: 41.912624 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.64235157
• LogD (pH = 7.4): 1.0654895
• Log P: 1.5475194