1-(1-cyclopropanecarbonylpiperidin-3-yl)-3-(2,4-dimethoxyphenyl)urea

• ChemBase ID: 434149
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: N1(C(=O)C2CC2)CC(NC(=O)Nc2c(cc(cc2)OC)OC)CCC1
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)NC1CCCN(C1)C(=O)C1CC1
• InChI: InChI=1S/C18H25N3O4/c1-24-14-7-8-15(16(10-14)25-2)20-18(23)19-13-4-3-9-21(11-13)17(22)12-5-6-12/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H2,19,20,23)
• InChIKey: NHLNUGDIDXCOCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropanecarbonylpiperidin-3-yl)-3-(2,4-dimethoxyphenyl)urea
• IUPAC Traditional name: 1-(1-cyclopropanecarbonylpiperidin-3-yl)-3-(2,4-dimethoxyphenyl)urea
• Synonyms: N-[1-(cyclopropylcarbonyl)piperidin-3-yl]-N'-(2,4-dimethoxyphenyl)urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.299935
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2766435
• LogD (pH = 7.4): 1.2766386
• Log P: 1.2766438
• Molar Refractivity: 94.3215 cm^3
• Polarizability: 35.9045 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.94
• LOG S: -2.54
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5