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

C13H18N4O2 — CID 110096495

IUPAC3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCN1CCCC(c2cncc(N3CCOC3=O)n2)C1
InChIInChI=1S/C13H18N4O2/c1-16-4-2-3-10(9-16)11-7-14-8-12(15-11)17-5-6-19-13(17)18/h7-8,10H,2-6,9H2,1H3
InChIKeyCOYWILHDSMXMHQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds2

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

3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110096495) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110096495
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCN1CCCC(c2cncc(N3CCOC3=O)n2)C1
InChIInChI=1S/C13H18N4O2/c1-16-4-2-3-10(9-16)11-7-14-8-12(15-11)17-5-6-19-13(17)18/h7-8,10H,2-6,9H2,1H3
InChIKeyCOYWILHDSMXMHQ-UHFFFAOYSA-N
XLogP1.24
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110096495) is 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is CN1CCCC(c2cncc(N3CCOC3=O)n2)C1.
What is the InChIKey of 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is COYWILHDSMXMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-4-2-3-10(9-16)11-7-14-8-12(15-11)17-5-6-19-13(17)18/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110096495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).