6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one

C15H22FN3O — CID 156711724

IUPAC6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CCC(F)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C15H22FN3O/c1-2-12-10-17-13(14(20)18-12)19-7-5-15(6-8-19)4-3-11(16)9-15/h10-11H,2-9H2,1H3,(H,18,20)
InChIKeyUSDWVYBKEMVFRJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.44
Rot. Bonds2

About 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one

6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one (PubChem CID 156711724) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
PubChem CID156711724
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CCC(F)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C15H22FN3O/c1-2-12-10-17-13(14(20)18-12)19-7-5-15(6-8-19)4-3-11(16)9-15/h10-11H,2-9H2,1H3,(H,18,20)
InChIKeyUSDWVYBKEMVFRJ-UHFFFAOYSA-N
XLogP2.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The IUPAC name of 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one (CID 156711724) is 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The canonical SMILES for 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one is CCc1cnc(N2CCC3(CCC(F)C3)CC2)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The InChIKey is USDWVYBKEMVFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-12-10-17-13(14(20)18-12)19-7-5-15(6-8-19)4-3-11(16)9-15/h10-11H,2-9H2,1H3,(H,18,20).
What are the key properties of 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one has a molecular weight of 279.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 156711724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).