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

C17H27N3O — CID 139525930

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one
SMILESCCC(C)c1cnc(N2CCC3(CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O/c1-3-13(2)14-12-18-15(16(21)19-14)20-10-8-17(9-11-20)6-4-5-7-17/h12-13H,3-11H2,1-2H3,(H,19,21)
InChIKeyOVLVTCDPFAZVHB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.44
Rot. Bonds3

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

3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one (PubChem CID 139525930) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one
PubChem CID139525930
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one
SMILESCCC(C)c1cnc(N2CCC3(CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O/c1-3-13(2)14-12-18-15(16(21)19-14)20-10-8-17(9-11-20)6-4-5-7-17/h12-13H,3-11H2,1-2H3,(H,19,21)
InChIKeyOVLVTCDPFAZVHB-UHFFFAOYSA-N
XLogP3.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one (CID 139525930) is 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one is CCC(C)c1cnc(N2CCC3(CCCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one?
The InChIKey is OVLVTCDPFAZVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-13(2)14-12-18-15(16(21)19-14)20-10-8-17(9-11-20)6-4-5-7-17/h12-13H,3-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one?
3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-6-butan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 139525930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).