4-{[1-(2-hydroxyacetyl)piperidin-4-yl]oxy}-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 376983
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: N1(C(=O)CO)CCC(CC1)Oc1ccc(C(=O)NCc2ncccc2)cc1
• Canonical SMILES: OCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCc1ccccn1
• InChI: InChI=1S/C20H23N3O4/c24-14-19(25)23-11-8-18(9-12-23)27-17-6-4-15(5-7-17)20(26)22-13-16-3-1-2-10-21-16/h1-7,10,18,24H,8-9,11-14H2,(H,22,26)
• InChIKey: ZMXPUTCXRLWCFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(2-hydroxyacetyl)piperidin-4-yl]oxy}-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 4-{[1-(2-hydroxyacetyl)piperidin-4-yl]oxy}-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 4-[(1-glycoloylpiperidin-4-yl)oxy]-N-(pyridin-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.609766
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.10335392
• LogD (pH = 7.4): -0.08561562
• Log P: -0.08538409
• Molar Refractivity: 99.8543 cm^3
• Polarizability: 38.387135 Å^3
• Polar Surface Area: 91.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.61
• LOG S: -1.11
• Polar Surface Area: 91.76 Å^2
• Rotatable Bonds: 6