2-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]acetamide

• ChemBase ID: 778426
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: N1(C(=O)CCC2(C1)CN(CC(=O)N)CCC2)Cc1ncccc1
• Canonical SMILES: NC(=O)CN1CCCC2(C1)CCC(=O)N(C2)Cc1ccccn1
• InChI: InChI=1S/C17H24N4O2/c18-15(22)11-20-9-3-6-17(12-20)7-5-16(23)21(13-17)10-14-4-1-2-8-19-14/h1-2,4,8H,3,5-7,9-13H2,(H2,18,22)
• InChIKey: AKLORKQLNDPRMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]acetamide
• IUPAC Traditional name: 2-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]acetamide
• Synonyms: 2-[9-oxo-8-(2-pyridinylmethyl)-2,8-diazaspiro[5.5]undec-2-yl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 1
• Log P: -0.51
• LOG S: -1.08
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4

JChem

• LogD (pH = 5.5): -2.3507862
• LogD (pH = 7.4): -0.77791494
• Log P: -0.51006645
• Molar Refractivity: 86.8365 cm^3
• Polarizability: 34.019535 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.8743725
• H Acceptors: 4
• H Donor: 1