8-(1-aminocyclopropanecarbonyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 495586
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: C1(C(=O)N2CC3(CN(C(=O)CC3)CCc3ncccc3)CCC2)(CC1)N
• Canonical SMILES: O=C1CCC2(CN1CCc1ccccn1)CCCN(C2)C(=O)C1(N)CC1
• InChI: InChI=1S/C20H28N4O2/c21-20(9-10-20)18(26)24-12-3-7-19(15-24)8-5-17(25)23(14-19)13-6-16-4-1-2-11-22-16/h1-2,4,11H,3,5-10,12-15,21H2
• InChIKey: YWLPHLXFAMYMRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-aminocyclopropanecarbonyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(1-aminocyclopropanecarbonyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(1-aminocyclopropyl)carbonyl]-2-[2-(2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.572054
• LogD (pH = 7.4): -0.8685967
• Log P: 0.052381765
• Molar Refractivity: 98.511 cm^3
• Polarizability: 38.813328 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.14
• LOG S: -1.69
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4