4-(1-{[2-(furan-2-yl)pyrimidin-5-yl]methyl}piperidine-4-carbonyl)morpholine

• ChemBase ID: 774447
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(N1CCOCC1)C1CCN(Cc2cnc(nc2)c2occc2)CC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCN(CC1)Cc1cnc(nc1)c1ccco1
• InChI: InChI=1S/C19H24N4O3/c24-19(23-7-10-25-11-8-23)16-3-5-22(6-4-16)14-15-12-20-18(21-13-15)17-2-1-9-26-17/h1-2,9,12-13,16H,3-8,10-11,14H2
• InChIKey: DZHOOXVMAZTWCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[2-(furan-2-yl)pyrimidin-5-yl]methyl}piperidine-4-carbonyl)morpholine
• IUPAC Traditional name: 4-(1-{[2-(furan-2-yl)pyrimidin-5-yl]methyl}piperidine-4-carbonyl)morpholine
• Synonyms: 4-[(1-{[2-(2-furyl)pyrimidin-5-yl]methyl}piperidin-4-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.6310807
• LogD (pH = 7.4): 0.141691
• Log P: 0.83031
• Molar Refractivity: 108.139 cm^3
• Polarizability: 37.928978 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.59
• LOG S: -2.3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 4