1-{3-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}imidazolidin-2-one

• ChemBase ID: 642954
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: C(=O)(N1C(CCCOC)CCCC1)c1cc(N2C(=O)NCC2)ccc1
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1cccc(c1)N1CCNC1=O
• InChI: InChI=1S/C19H27N3O3/c1-25-13-5-9-16-7-2-3-11-21(16)18(23)15-6-4-8-17(14-15)22-12-10-20-19(22)24/h4,6,8,14,16H,2-3,5,7,9-13H2,1H3,(H,20,24)
• InChIKey: AXZXYFMEJJZXRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{3-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}imidazolidin-2-one
• Synonyms: 1-(3-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}phenyl)-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5321002
• LogD (pH = 7.4): 1.5321003
• Log P: 1.5321003
• Molar Refractivity: 96.8788 cm^3
• Polarizability: 36.83837 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.17
• LOG S: -3.17
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6