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

• ChemBase ID: 334276
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CCC(C(=O)N2CCCCC2)CC1
• Canonical SMILES: O=C(N1CCCCC1)C1CCN(CC1)C(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C18H23N5O2/c24-16(21-8-2-1-3-9-21)14-5-11-22(12-6-14)17(25)15-13-23-10-4-7-19-18(23)20-15/h4,7,10,13-14H,1-3,5-6,8-9,11-12H2
• InChIKey: IJYFZQNOXQDFFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.055011317
• LogD (pH = 7.4): 0.05502379
• Log P: 0.055023946
• Molar Refractivity: 95.4289 cm^3
• Polarizability: 35.29256 Å^3
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.04
• LOG S: -3.03
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 2