1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one

C11H15N3O2 — CID 62940146

IUPAC1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
SMILESCCn1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C11H15N3O2/c1-2-13-8-5-12-10(11(13)16)14-6-3-9(15)4-7-14/h5,8H,2-4,6-7H2,1H3
InChIKeyWLCGYSHTNZQVRM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.43
Rot. Bonds2

About 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one

1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one (PubChem CID 62940146) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
PubChem CID62940146
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
SMILESCCn1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C11H15N3O2/c1-2-13-8-5-12-10(11(13)16)14-6-3-9(15)4-7-14/h5,8H,2-4,6-7H2,1H3
InChIKeyWLCGYSHTNZQVRM-UHFFFAOYSA-N
XLogP0.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one (CID 62940146) is 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one is CCn1ccnc(N2CCC(=O)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The InChIKey is WLCGYSHTNZQVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-13-8-5-12-10(11(13)16)14-6-3-9(15)4-7-14/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 62940146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).