3-(4-hydroxybenzamido)-4-(2-methylpiperidin-1-yl)benzamide

• ChemBase ID: 613590
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: N1(c2c(NC(=O)c3ccc(cc3)O)cc(C(=O)N)cc2)C(C)CCCC1
• Canonical SMILES: Oc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCCCC1C)C(=O)N
• InChI: InChI=1S/C20H23N3O3/c1-13-4-2-3-11-23(13)18-10-7-15(19(21)25)12-17(18)22-20(26)14-5-8-16(24)9-6-14/h5-10,12-13,24H,2-4,11H2,1H3,(H2,21,25)(H,22,26)
• InChIKey: MKLWZJMMLVKAFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-hydroxybenzamido)-4-(2-methylpiperidin-1-yl)benzamide
• IUPAC Traditional name: 3-(4-hydroxybenzamido)-4-(2-methylpiperidin-1-yl)benzamide
• Synonyms: 3-[(4-hydroxybenzoyl)amino]-4-(2-methylpiperidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.605037
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.9858828
• LogD (pH = 7.4): 2.9610848
• Log P: 2.9871907
• Molar Refractivity: 103.6402 cm^3
• Polarizability: 37.83498 Å^3
• Polar Surface Area: 95.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 3.06
• LOG S: -3.81
• Polar Surface Area: 95.66 Å^2
• Rotatable Bonds: 4