8-[2-(dimethylamino)acetyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 848497
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CN(C)C)CCC2)Cc1ncccc1
• Canonical SMILES: CN(CC(=O)N1CCCC2(C1)CCC(=O)N(C2)Cc1ccccn1)C
• InChI: InChI=1S/C19H28N4O2/c1-21(2)13-18(25)22-11-5-8-19(14-22)9-7-17(24)23(15-19)12-16-6-3-4-10-20-16/h3-4,6,10H,5,7-9,11-15H2,1-2H3
• InChIKey: RWLALERGGQHERW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(dimethylamino)acetyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[2-(dimethylamino)acetyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(N,N-dimethylglycyl)-2-(2-pyridinylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.070771
• LogD (pH = 7.4): -0.4163971
• Log P: -0.06271432
• Molar Refractivity: 96.6299 cm^3
• Polarizability: 37.697544 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.2
• LOG S: -1.89
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4