3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-(piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 616154
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(OC)ccc1)C1CCNCC1)CCCO
• Canonical SMILES: OCCCN1C(=O)NC(C1=O)(Cc1cccc(c1)OC)C1CCNCC1
• InChI: InChI=1S/C19H27N3O4/c1-26-16-5-2-4-14(12-16)13-19(15-6-8-20-9-7-15)17(24)22(10-3-11-23)18(25)21-19/h2,4-5,12,15,20,23H,3,6-11,13H2,1H3,(H,21,25)
• InChIKey: NMPVFQCUEDQFGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-(piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-(piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 3-(3-hydroxypropyl)-5-(3-methoxybenzyl)-5-piperidin-4-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.4639845
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -2.830066
• LogD (pH = 7.4): -2.1600697
• Log P: 0.20311043
• Molar Refractivity: 97.6157 cm^3
• Polarizability: 38.073986 Å^3
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.06
• LOG S: -2.74
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 7