4-(benzyloxy)-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine

• ChemBase ID: 629866
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CCC(CC1)OCc1ccccc1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C19H20N4O2/c24-18(17-13-23-10-4-9-20-19(23)21-17)22-11-7-16(8-12-22)25-14-15-5-2-1-3-6-15/h1-6,9-10,13,16H,7-8,11-12,14H2
• InChIKey: NLCICVMKKLVERW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine
• Synonyms: 2-{[4-(benzyloxy)piperidin-1-yl]carbonyl}imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.176785
• LogD (pH = 7.4): 1.1767967
• Log P: 1.1767969
• Molar Refractivity: 96.3775 cm^3
• Polarizability: 35.856056 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.27
• LOG S: -2.74
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4