N-(2-{imidazo[1,2-a]pyrimidin-2-yl}ethyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

• ChemBase ID: 445267
• Molecular Formular: C23H27N5O2
• Molecular Mass: 405.49278
• Monoisotopic Mass: 405.21647513
• SMILES: c12n(cc(n1)CCNC(=O)C1CN(C(=O)CC1)CCCc1ccccc1)cccn2
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCc1ccccc1)NCCc1cn2c(n1)nccc2
• InChI: InChI=1S/C23H27N5O2/c29-21-10-9-19(16-27(21)14-4-8-18-6-2-1-3-7-18)22(30)24-13-11-20-17-28-15-5-12-25-23(28)26-20/h1-3,5-7,12,15,17,19H,4,8-11,13-14,16H2,(H,24,30)
• InChIKey: IUGGLFRHDFECCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyrimidin-2-yl}ethyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyrimidin-2-yl}ethyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• Synonyms: N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.446065
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2164882
• LogD (pH = 7.4): 1.2187023
• Log P: 1.2187307
• Molar Refractivity: 116.0504 cm^3
• Polarizability: 43.94692 Å^3
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.09
• LOG S: -4.41
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 8