2-benzyl-9-(5-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 694566
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)c1ncc(cc1)C)CC2)Cc1ccccc1
• Canonical SMILES: Cc1ccc(nc1)C(=O)N1CCC2(CC1)CCC(=O)N(C2)Cc1ccccc1
• InChI: InChI=1S/C23H27N3O2/c1-18-7-8-20(24-15-18)22(28)25-13-11-23(12-14-25)10-9-21(27)26(17-23)16-19-5-3-2-4-6-19/h2-8,15H,9-14,16-17H2,1H3
• InChIKey: HYAWVVUZQZXKJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-9-(5-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-benzyl-9-(5-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-benzyl-9-[(5-methylpyridin-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.561811
• LogD (pH = 7.4): 2.5618534
• Log P: 2.561854
• Molar Refractivity: 109.2168 cm^3
• Polarizability: 41.790474 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.86
• LOG S: -3.54
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3