1-(1-benzofuran-3-carbonyl)-4-cyclohexylpiperazine

• ChemBase ID: 409470
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: c1(C(=O)N2CCN(CC2)C2CCCCC2)coc2c1cccc2
• Canonical SMILES: O=C(c1coc2c1cccc2)N1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C19H24N2O2/c22-19(17-14-23-18-9-5-4-8-16(17)18)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2
• InChIKey: VLWLGQOMSYLPQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-3-carbonyl)-4-cyclohexylpiperazine
• IUPAC Traditional name: 1-(1-benzofuran-3-carbonyl)-4-cyclohexylpiperazine
• Synonyms: 1-(1-benzofuran-3-ylcarbonyl)-4-cyclohexylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.61644
• LogD (pH = 7.4): 2.3797915
• Log P: 3.0767517
• Molar Refractivity: 90.8352 cm^3
• Polarizability: 36.03926 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.86
• LOG S: -3.92
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2