1-(2-{2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)pyrrolidin-2-one

• ChemBase ID: 494124
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: N1(C(=O)CN2C(=O)CCC2)CC2(CC1)CNCCC2
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2)CN1CCCC1=O
• InChI: InChI=1S/C14H23N3O2/c18-12-3-1-7-16(12)9-13(19)17-8-5-14(11-17)4-2-6-15-10-14/h15H,1-11H2
• InChIKey: IWHIZGPYPMOKCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)pyrrolidin-2-one
• IUPAC Traditional name: 1-(2-{2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)pyrrolidin-2-one
• Synonyms: 1-[2-(2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.47308
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.29717
• LogD (pH = 7.4): -3.6823769
• Log P: -1.072806
• Molar Refractivity: 72.3417 cm^3
• Polarizability: 28.289988 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.22
• LOG S: -2.26
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2