N,5-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 452043
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N(C1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)cccc2C)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C23H28N4O/c1-18-8-6-12-22-24-21(17-27(18)22)23(28)25(2)20-11-7-14-26(16-20)15-13-19-9-4-3-5-10-19/h3-6,8-10,12,17,20H,7,11,13-16H2,1-2H3
• InChIKey: LMZWMZRCNDRLSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N,5-dimethyl-N-[1-(2-phenylethyl)-3-piperidinyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.3151211
• LogD (pH = 7.4): 2.0786912
• Log P: 3.140297
• Molar Refractivity: 114.1838 cm^3
• Polarizability: 42.94672 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.69
• LOG S: -4.42
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5