2-(cyclopropylmethyl)-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 322269
• Molecular Formular: C22H29FN2O2
• Molecular Mass: 372.4762632
• Monoisotopic Mass: 372.2213064
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CCc1c(F)cccc1)CCC2)CC1CC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)CC1CC1)CCc1ccccc1F
• InChI: InChI=1S/C22H29FN2O2/c23-19-5-2-1-4-18(19)8-9-20(26)24-13-3-11-22(15-24)12-10-21(27)25(16-22)14-17-6-7-17/h1-2,4-5,17H,3,6-16H2
• InChIKey: FQIUWPYZGIDNCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(cyclopropylmethyl)-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6597016
• LogD (pH = 7.4): 2.6597023
• Log P: 2.6597023
• Molar Refractivity: 102.7487 cm^3
• Polarizability: 39.687954 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.23
• LOG S: -4.67
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5