3-methyl-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-3-phenylpiperidine

• ChemBase ID: 603803
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N1CC(c2ccccc2)(CCC1)C
• Canonical SMILES: Cc1nc2n(c1C(=O)N1CCCC(C1)(C)c1ccccc1)cccn2
• InChI: InChI=1S/C20H22N4O/c1-15-17(24-13-7-11-21-19(24)22-15)18(25)23-12-6-10-20(2,14-23)16-8-4-3-5-9-16/h3-5,7-9,11,13H,6,10,12,14H2,1-2H3
• InChIKey: NQWATKYJILNYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-3-phenylpiperidine
• IUPAC Traditional name: 3-methyl-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-3-phenylpiperidine
• Synonyms: 2-methyl-3-[(3-methyl-3-phenylpiperidin-1-yl)carbonyl]imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8837267
• LogD (pH = 7.4): 1.8838015
• Log P: 1.8838024
• Molar Refractivity: 99.2371 cm^3
• Polarizability: 36.925137 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.88
• LOG S: -5.15
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2