5-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione

• ChemBase ID: 371668
• Molecular Formular: C25H35N3O6
• Molecular Mass: 473.5619
• Monoisotopic Mass: 473.25258586
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2cc(c(cc2)OC)OC)CC1)CCC)CC1OCCC1
• Canonical SMILES: CCCC1(NC(=O)N(C1=O)CC1CCCO1)C1CCN(CC1)C(=O)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C25H35N3O6/c1-4-11-25(23(30)28(24(31)26-25)16-19-6-5-14-34-19)18-9-12-27(13-10-18)22(29)17-7-8-20(32-2)21(15-17)33-3/h7-8,15,18-19H,4-6,9-14,16H2,1-3H3,(H,26,31)
• InChIKey: ONAMPDNOCJMBKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
• Synonyms: 5-[1-(3,4-dimethoxybenzoyl)-4-piperidinyl]-5-propyl-3-(tetrahydro-2-furanylmethyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.160359
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.05699
• LogD (pH = 7.4): 2.0569165
• Log P: 2.0569909
• Molar Refractivity: 125.9183 cm^3
• Polarizability: 48.65677 Å^3
• Polar Surface Area: 97.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.22
• LOG S: -5.07
• Polar Surface Area: 97.41 Å^2
• Rotatable Bonds: 4