1-(2-methylfuran-3-carbonyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

• ChemBase ID: 380408
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: c1(C(=O)N2CCN(C3Cc4c(CC3)cccc4)CC2)c(occ1)C
• Canonical SMILES: Cc1occc1C(=O)N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C20H24N2O2/c1-15-19(8-13-24-15)20(23)22-11-9-21(10-12-22)18-7-6-16-4-2-3-5-17(16)14-18/h2-5,8,13,18H,6-7,9-12,14H2,1H3
• InChIKey: ODUDCGVNSUUFPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylfuran-3-carbonyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• IUPAC Traditional name: 1-(2-methylfuran-3-carbonyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• Synonyms: 1-(2-methyl-3-furoyl)-4-(1,2,3,4-tetrahydro-2-naphthalenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0507741
• LogD (pH = 7.4): 2.6767192
• Log P: 3.0155232
• Molar Refractivity: 95.5914 cm^3
• Polarizability: 36.03351 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: 3.18
• LOG S: -4.28
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2