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

• ChemBase ID: 439660
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CCC(CC1)CCc1ccccc1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)N1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C20H22N4O/c25-19(18-15-24-12-4-11-21-20(24)22-18)23-13-9-17(10-14-23)8-7-16-5-2-1-3-6-16/h1-6,11-12,15,17H,7-10,13-14H2
• InChIKey: JUAGDCVLTGKABV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6514523
• LogD (pH = 7.4): 2.651464
• Log P: 2.6514642
• Molar Refractivity: 99.277 cm^3
• Polarizability: 36.927708 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.45
• LOG S: -3.73
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4