3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one

C12H16N4O2 — CID 110096489

IUPAC3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cnc(C2CCNCC2)cn1
InChIInChI=1S/C12H16N4O2/c17-12-16(5-6-18-12)11-8-14-10(7-15-11)9-1-3-13-4-2-9/h7-9,13H,1-6H2
InChIKeyYHQSPMZUABIWEV-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.90
Rot. Bonds2

About 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one

3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one (PubChem CID 110096489) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one
PubChem CID110096489
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cnc(C2CCNCC2)cn1
InChIInChI=1S/C12H16N4O2/c17-12-16(5-6-18-12)11-8-14-10(7-15-11)9-1-3-13-4-2-9/h7-9,13H,1-6H2
InChIKeyYHQSPMZUABIWEV-UHFFFAOYSA-N
XLogP0.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one (CID 110096489) is 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1cnc(C2CCNCC2)cn1.
What is the InChIKey of 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is YHQSPMZUABIWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-12-16(5-6-18-12)11-8-14-10(7-15-11)9-1-3-13-4-2-9/h7-9,13H,1-6H2.
What are the key properties of 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one?
3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 248.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperidin-4-ylpyrazin-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 110096489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).