7-(cyclopropylmethyl)-N-(3-fluorophenyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 515128
• Molecular Formular: C19H24FN3O2
• Molecular Mass: 345.4111632
• Monoisotopic Mass: 345.18525524
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)Nc2cc(F)ccc2)CC1
• Canonical SMILES: Fc1cccc(c1)NC(=O)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C19H24FN3O2/c20-15-3-1-4-16(11-15)21-18(25)23-10-8-19(13-23)7-2-9-22(17(19)24)12-14-5-6-14/h1,3-4,11,14H,2,5-10,12-13H2,(H,21,25)
• InChIKey: MOTTYZASBZKNJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-N-(3-fluorophenyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: 7-(cyclopropylmethyl)-N-(3-fluorophenyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: 7-(cyclopropylmethyl)-N-(3-fluorophenyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.870372
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1999497
• LogD (pH = 7.4): 2.1999495
• Log P: 2.199951
• Molar Refractivity: 94.1624 cm^3
• Polarizability: 35.320885 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.27
• LOG S: -3.66
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3