2-(4-{[(3-phenoxyphenyl)carbamoyl]amino}piperidin-1-yl)acetamide

• ChemBase ID: 452208
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: C(=O)(Nc1cc(Oc2ccccc2)ccc1)NC1CCN(CC(=O)N)CC1
• Canonical SMILES: O=C(Nc1cccc(c1)Oc1ccccc1)NC1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C20H24N4O3/c21-19(25)14-24-11-9-15(10-12-24)22-20(26)23-16-5-4-8-18(13-16)27-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H2,21,25)(H2,22,23,26)
• InChIKey: CCZZOCRGSOHPIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{[(3-phenoxyphenyl)carbamoyl]amino}piperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(4-{[(3-phenoxyphenyl)carbamoyl]amino}piperidin-1-yl)acetamide
• Synonyms: 2-[4-({[(3-phenoxyphenyl)amino]carbonyl}amino)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.110398
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.17589927
• LogD (pH = 7.4): 1.1635636
• Log P: 1.2992207
• Molar Refractivity: 104.0931 cm^3
• Polarizability: 39.728775 Å^3
• Polar Surface Area: 96.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.73
• LOG S: -4.22
• Polar Surface Area: 96.69 Å^2
• Rotatable Bonds: 6