3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one

C14H18N4O3 — CID 110096515

IUPAC3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCCC(c2cncc(N3CCOC3=O)n2)C1
InChIInChI=1S/C14H18N4O3/c1-10(19)17-4-2-3-11(9-17)12-7-15-8-13(16-12)18-5-6-21-14(18)20/h7-8,11H,2-6,9H2,1H3
InChIKeyNSGQJOJGFFOONN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.16
Rot. Bonds2

About 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one

3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110096515) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110096515
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCCC(c2cncc(N3CCOC3=O)n2)C1
InChIInChI=1S/C14H18N4O3/c1-10(19)17-4-2-3-11(9-17)12-7-15-8-13(16-12)18-5-6-21-14(18)20/h7-8,11H,2-6,9H2,1H3
InChIKeyNSGQJOJGFFOONN-UHFFFAOYSA-N
XLogP1.16
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110096515) is 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is CC(=O)N1CCCC(c2cncc(N3CCOC3=O)n2)C1.
What is the InChIKey of 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is NSGQJOJGFFOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10(19)17-4-2-3-11(9-17)12-7-15-8-13(16-12)18-5-6-21-14(18)20/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110096515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).