2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 595808
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: C(=O)(N1CCC2(CN(C(=O)C2)Cc2ccccc2)CC1)N1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)C(=O)N1CCC2(CC1)CC(=O)N(C2)Cc1ccccc1
• InChI: InChI=1S/C21H30N4O2/c1-22-11-13-24(14-12-22)20(27)23-9-7-21(8-10-23)15-19(26)25(17-21)16-18-5-3-2-4-6-18/h2-6H,7-17H2,1H3
• InChIKey: SYCCNGIKUAMBOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-[(4-methyl-1-piperazinyl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.86906886
• LogD (pH = 7.4): 0.42365837
• Log P: 0.5424378
• Molar Refractivity: 105.9532 cm^3
• Polarizability: 40.843178 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.7
• LOG S: -3.35
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 2