2-cyclopropyl-8-[2-(1H-imidazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 845767
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)Cn1cncc1)CCC2)C1CC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)C1CC1)Cn1cncc1
• InChI: InChI=1S/C17H24N4O2/c22-15-4-6-17(12-21(15)14-2-3-14)5-1-8-20(11-17)16(23)10-19-9-7-18-13-19/h7,9,13-14H,1-6,8,10-12H2
• InChIKey: YAHXAYJFSZTQMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-8-[2-(1H-imidazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-8-[2-(imidazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-8-(1H-imidazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8209505
• LogD (pH = 7.4): -0.35651678
• Log P: -0.29713997
• Molar Refractivity: 85.829 cm^3
• Polarizability: 33.180717 Å^3
• Polar Surface Area: 58.44 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: 0.14
• LOG S: -2.94
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 3