7-cyclohexyl-2-[3-(1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 740052
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)CCn2nccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)CCn1cccn1
• InChI: InChI=1S/C20H30N4O2/c25-18(8-14-23-12-5-11-21-23)22-15-10-20(16-22)9-4-13-24(19(20)26)17-6-2-1-3-7-17/h5,11-12,17H,1-4,6-10,13-16H2
• InChIKey: USVDBYGKJZIPDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclohexyl-2-[3-(1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclohexyl-2-[3-(pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclohexyl-2-[3-(1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.507554
• LogD (pH = 7.4): 1.5076892
• Log P: 1.507691
• Molar Refractivity: 110.9881 cm^3
• Polarizability: 38.685143 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.11
• LOG S: -3.62
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4