N-(2-ethoxyphenyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

• ChemBase ID: 438121
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: c1(C2CN(C(=O)Nc3c(OCC)cccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)Nc1ccccc1OCC
• InChI: InChI=1S/C20H28N4O3/c1-3-27-18-9-5-4-8-17(18)22-20(25)24-11-6-7-16(15-24)19-21-10-12-23(19)13-14-26-2/h4-5,8-10,12,16H,3,6-7,11,13-15H2,1-2H3,(H,22,25)
• InChIKey: HDRVVENPODTFDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carboxamide
• Synonyms: N-(2-ethoxyphenyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.876041
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4722087
• LogD (pH = 7.4): 2.1029706
• Log P: 2.1308043
• Molar Refractivity: 105.5808 cm^3
• Polarizability: 39.89594 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.54
• LOG S: -3.23
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7