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

• ChemBase ID: 380429
• Molecular Formular: C24H28N4O2
• Molecular Mass: 404.50472
• Monoisotopic Mass: 404.22122616
• SMILES: n12c(nc(c1)CCNC(=O)C1CN(C(=O)CC1)CCCc1ccccc1)cccc2
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCc1ccccc1)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C24H28N4O2/c29-23-12-11-20(17-28(23)16-6-9-19-7-2-1-3-8-19)24(30)25-14-13-21-18-27-15-5-4-10-22(27)26-21/h1-5,7-8,10,15,18,20H,6,9,11-14,16-17H2,(H,25,30)
• InChIKey: NYBHPMAJIBSBHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.57944
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4425662
• LogD (pH = 7.4): 2.1445408
• Log P: 2.1709852
• Molar Refractivity: 117.1972 cm^3
• Polarizability: 44.823223 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.19
• LOG S: -4.92
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 8