3-(3-methoxybenzoyl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 406396
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CC(C(=O)c2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)C(=O)C1CCCN(C1)C(=O)c1nc2n(c1)cccc2C
• InChI: InChI=1S/C22H23N3O3/c1-15-6-4-10-24-14-19(23-21(15)24)22(27)25-11-5-8-17(13-25)20(26)16-7-3-9-18(12-16)28-2/h3-4,6-7,9-10,12,14,17H,5,8,11,13H2,1-2H3
• InChIKey: IUSVQAWLDJIBHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxybenzoyl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 3-(3-methoxybenzoyl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• Synonyms: (3-methoxyphenyl){1-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-3-piperidinyl}methanone

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 16.24438
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7743828
• LogD (pH = 7.4): 2.7822976
• Log P: 2.7823994
• Molar Refractivity: 107.9856 cm^3
• Polarizability: 40.379845 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.08
• LOG S: -4.11
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 3