5-(3-oxo-3-{spiro[indene-1,4'-piperidine]-1'-yl}propyl)imidazolidine-2,4-dione

• ChemBase ID: 380140
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N1CCC2(C=Cc3c2cccc3)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)N1CCC2(CC1)C=Cc1c2cccc1
• InChI: InChI=1S/C19H21N3O3/c23-16(6-5-15-17(24)21-18(25)20-15)22-11-9-19(10-12-22)8-7-13-3-1-2-4-14(13)19/h1-4,7-8,15H,5-6,9-12H2,(H2,20,21,24,25)
• InChIKey: BMWKWSUPQSAQIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-oxo-3-{spiro[indene-1,4'-piperidine]-1'-yl}propyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(3-oxo-3-{spiro[indene-1,4'-piperidine]-1'-yl}propyl)imidazolidine-2,4-dione
• Synonyms: 5-[3-oxo-3-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)propyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637653
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7474813
• LogD (pH = 7.4): 0.745036
• Log P: 0.74751276
• Molar Refractivity: 93.5623 cm^3
• Polarizability: 35.553562 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.3
• LOG S: -2.79
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3