3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

C22H32N4O3 — CID 110099054

IUPAC3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)(C)C(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1
InChIInChI=1S/C22H32N4O3/c1-21(2,3)19(27)25-11-7-8-16(14-25)17-12-23-13-18(24-17)26-15-22(29-20(26)28)9-5-4-6-10-22/h12-13,16H,4-11,14-15H2,1-3H3
InChIKeyLSAAEEOBGGFFGT-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.89
Rot. Bonds2

About 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099054) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099054
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)(C)C(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1
InChIInChI=1S/C22H32N4O3/c1-21(2,3)19(27)25-11-7-8-16(14-25)17-12-23-13-18(24-17)26-15-22(29-20(26)28)9-5-4-6-10-22/h12-13,16H,4-11,14-15H2,1-3H3
InChIKeyLSAAEEOBGGFFGT-UHFFFAOYSA-N
XLogP3.89
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 110099054) is 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is CC(C)(C)C(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1.
What is the InChIKey of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is LSAAEEOBGGFFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-21(2,3)19(27)25-11-7-8-16(14-25)17-12-23-13-18(24-17)26-15-22(29-20(26)28)9-5-4-6-10-22/h12-13,16H,4-11,14-15H2,1-3H3.
What are the key properties of 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 400.52 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).