1'-(4-methoxypyrimidin-2-yl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 711259
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: C12(C(=O)Nc3c1cccc3)CN(c1nc(ccn1)OC)CCC2
• Canonical SMILES: COc1ccnc(n1)N1CCCC2(C1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C17H18N4O2/c1-23-14-7-9-18-16(20-14)21-10-4-8-17(11-21)12-5-2-3-6-13(12)19-15(17)22/h2-3,5-7,9H,4,8,10-11H2,1H3,(H,19,22)
• InChIKey: KIKUTWJGSIDZOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(4-methoxypyrimidin-2-yl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-(4-methoxypyrimidin-2-yl)-1H-spiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-(4-methoxypyrimidin-2-yl)spiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179128
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6045976
• LogD (pH = 7.4): 2.6525931
• Log P: 2.653244
• Molar Refractivity: 88.9168 cm^3
• Polarizability: 32.5884 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.59
• LOG S: -4.53
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2