1-methyl-1'-[4-(1H-pyrazol-1-yl)butanoyl]-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 530837
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(C(=O)CCCn1nccc1)CC2
• Canonical SMILES: O=C(N1CCC2(CC1)c1ccccc1N(C2=O)C)CCCn1cccn1
• InChI: InChI=1S/C20H24N4O2/c1-22-17-7-3-2-6-16(17)20(19(22)26)9-14-23(15-10-20)18(25)8-4-12-24-13-5-11-21-24/h2-3,5-7,11,13H,4,8-10,12,14-15H2,1H3
• InChIKey: VXVXSSKZHOTBSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1330874
• LogD (pH = 7.4): 1.133222
• Log P: 1.1332237
• Molar Refractivity: 110.4291 cm^3
• Polarizability: 37.93487 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: 1.95
• LOG S: -3.44
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4