N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylpropanamide

• ChemBase ID: 521104
• Molecular Formular: C13H26N2O2
• Molecular Mass: 242.35774
• Monoisotopic Mass: 242.19942808
• SMILES: C(=O)(C(C)(C)C)NCCCN1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)CCCNC(=O)C(C)(C)C
• InChI: InChI=1S/C13H26N2O2/c1-13(2,3)12(17)14-7-4-8-15-9-5-11(16)6-10-15/h11,16H,4-10H2,1-3H3,(H,14,17)
• InChIKey: JJZQRRCPWYBJPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylpropanamide
• IUPAC Traditional name: N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylpropanamide
• Synonyms: N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.1359
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6048193
• LogD (pH = 7.4): -0.8872638
• Log P: 0.38958803
• Molar Refractivity: 69.6738 cm^3
• Polarizability: 27.299047 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.03
• LOG S: -2.25
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5