N-(2,4-dimethoxyphenyl)-3-[1-(1H-imidazole-4-carbonyl)piperidin-4-yl]propanamide

• ChemBase ID: 461036
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c1(C(=O)N2CCC(CC2)CCC(=O)Nc2c(cc(cc2)OC)OC)nc[nH]c1
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)CCC1CCN(CC1)C(=O)c1c[nH]cn1
• InChI: InChI=1S/C20H26N4O4/c1-27-15-4-5-16(18(11-15)28-2)23-19(25)6-3-14-7-9-24(10-8-14)20(26)17-12-21-13-22-17/h4-5,11-14H,3,6-10H2,1-2H3,(H,21,22)(H,23,25)
• InChIKey: GLCKFIWLTJZGMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethoxyphenyl)-3-[1-(1H-imidazole-4-carbonyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-(2,4-dimethoxyphenyl)-3-[1-(1H-imidazole-4-carbonyl)piperidin-4-yl]propanamide
• Synonyms: N-(2,4-dimethoxyphenyl)-3-[1-(1H-imidazol-4-ylcarbonyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.878012
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3570768
• LogD (pH = 7.4): 1.3636326
• Log P: 1.3638587
• Molar Refractivity: 106.2743 cm^3
• Polarizability: 39.858757 Å^3
• Polar Surface Area: 96.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.56
• LOG S: -4.26
• Polar Surface Area: 96.55 Å^2
• Rotatable Bonds: 5