ethyl 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}piperidine-1-carboxylate

• ChemBase ID: 592121
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: c12c([nH]cn1)CCN(C2)C1CCN(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)N1CCC(CC1)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C14H22N4O2/c1-2-20-14(19)17-6-3-11(4-7-17)18-8-5-12-13(9-18)16-10-15-12/h10-11H,2-9H2,1H3,(H,15,16)
• InChIKey: VTQUAZAEADVKHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-{1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}piperidine-1-carboxylate
• Synonyms: ethyl 4-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.044296
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7354656
• LogD (pH = 7.4): -0.44595304
• Log P: -0.16136783
• Molar Refractivity: 76.4253 cm^3
• Polarizability: 29.31022 Å^3
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.32
• LOG S: -1.81
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 3