N-benzyl-1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidine-4-carboxamide

• ChemBase ID: 536355
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(n(ccn1)CCOC)CN1CCC(C(=O)NCc2ccccc2)CC1
• Canonical SMILES: COCCn1ccnc1CN1CCC(CC1)C(=O)NCc1ccccc1
• InChI: InChI=1S/C20H28N4O2/c1-26-14-13-24-12-9-21-19(24)16-23-10-7-18(8-11-23)20(25)22-15-17-5-3-2-4-6-17/h2-6,9,12,18H,7-8,10-11,13-16H2,1H3,(H,22,25)
• InChIKey: BJRLDPPYOXDHOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidine-4-carboxamide
• IUPAC Traditional name: N-benzyl-1-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}piperidine-4-carboxamide
• Synonyms: N-benzyl-1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.499625
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.19947106
• LogD (pH = 7.4): 1.1012933
• Log P: 1.2603568
• Molar Refractivity: 102.5361 cm^3
• Polarizability: 39.606033 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.14
• LOG S: -2.77
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 8