2-(3-hydroxypiperidin-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide

• ChemBase ID: 769028
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: N1(CC(=O)NCCCc2ncccc2)CC(O)CCC1
• Canonical SMILES: OC1CCCN(C1)CC(=O)NCCCc1ccccn1
• InChI: InChI=1S/C15H23N3O2/c19-14-7-4-10-18(11-14)12-15(20)17-9-3-6-13-5-1-2-8-16-13/h1-2,5,8,14,19H,3-4,6-7,9-12H2,(H,17,20)
• InChIKey: GBMFFJPWDVQTFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-hydroxypiperidin-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(3-hydroxypiperidin-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide
• Synonyms: 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.778205
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9322774
• LogD (pH = 7.4): -0.30921185
• Log P: -0.025704727
• Molar Refractivity: 77.683 cm^3
• Polarizability: 30.470503 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.56
• LOG S: -0.4
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 6