N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide

• ChemBase ID: 597855
• Molecular Formular: C22H32N4O
• Molecular Mass: 368.51568
• Monoisotopic Mass: 368.25761166
• SMILES: n12c(nc(c1)CCC(=O)NC1CN(CC3CCCCC3)CCC1)cccc2
• Canonical SMILES: O=C(NC1CCCN(C1)CC1CCCCC1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C22H32N4O/c27-22(12-11-20-17-26-14-5-4-10-21(26)23-20)24-19-9-6-13-25(16-19)15-18-7-2-1-3-8-18/h4-5,10,14,17-19H,1-3,6-9,11-13,15-16H2,(H,24,27)
• InChIKey: LZYOKCDIVUKYAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• Synonyms: N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.791701
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3413105
• LogD (pH = 7.4): 0.78434354
• Log P: 2.731008
• Molar Refractivity: 109.1154 cm^3
• Polarizability: 42.188858 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.56
• LOG S: -4.56
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6