1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-(pyrazin-2-yl)propan-1-one

• ChemBase ID: 688012
• Molecular Formular: C15H21N3O2
• Molecular Mass: 275.34614
• Monoisotopic Mass: 275.16337693
• SMILES: N1(C(=O)CCc2nccnc2)CCC2(OCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(CC1)CCCO2)CCc1cnccn1
• InChI: InChI=1S/C15H21N3O2/c19-14(3-2-13-12-16-7-8-17-13)18-9-5-15(6-10-18)4-1-11-20-15/h7-8,12H,1-6,9-11H2
• InChIKey: LKPWPMYHRZSGTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-(pyrazin-2-yl)propan-1-one
• IUPAC Traditional name: 1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-(pyrazin-2-yl)propan-1-one
• Synonyms: 8-[3-(2-pyrazinyl)propanoyl]-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.57470894
• LogD (pH = 7.4): -0.5747044
• Log P: -0.57470435
• Molar Refractivity: 74.7507 cm^3
• Polarizability: 29.247406 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.07
• LOG S: -2.58
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3