1-{4-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione

• ChemBase ID: 681026
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N2C(CCCOC)CCCC2)cc1
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C19H25N3O4/c1-26-12-4-6-15-5-2-3-11-21(15)18(24)14-7-9-16(10-8-14)22-13-17(23)20-19(22)25/h7-10,15H,2-6,11-13H2,1H3,(H,20,23,25)
• InChIKey: BTBLLDRVYMFDOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 1-{4-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione
• Synonyms: 1-(4-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}phenyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064492
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1697694
• LogD (pH = 7.4): 1.1606907
• Log P: 1.1698866
• Molar Refractivity: 96.9579 cm^3
• Polarizability: 36.942608 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.18
• LOG S: -3.28
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6