1-(6-ethyl-3-pyridinyl)piperazin-2-one

C11H15N3O — CID 139539008

IUPAC1-(6-ethyl-3-pyridinyl)piperazin-2-one
SMILESCCc1ccc(N2CCNCC2=O)cn1
InChIInChI=1S/C11H15N3O/c1-2-9-3-4-10(7-13-9)14-6-5-12-8-11(14)15/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyIBJRILPSFRYMGF-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.58
Rot. Bonds2

About 1-(6-ethyl-3-pyridinyl)piperazin-2-one

1-(6-ethyl-3-pyridinyl)piperazin-2-one (PubChem CID 139539008) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(6-ethyl-3-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name1-(6-ethyl-3-pyridinyl)piperazin-2-one
PubChem CID139539008
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(6-ethyl-3-pyridinyl)piperazin-2-one
SMILESCCc1ccc(N2CCNCC2=O)cn1
InChIInChI=1S/C11H15N3O/c1-2-9-3-4-10(7-13-9)14-6-5-12-8-11(14)15/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyIBJRILPSFRYMGF-UHFFFAOYSA-N
XLogP0.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-3-pyridinyl)piperazin-2-one?
The IUPAC name of 1-(6-ethyl-3-pyridinyl)piperazin-2-one (CID 139539008) is 1-(6-ethyl-3-pyridinyl)piperazin-2-one.
What is the SMILES notation for 1-(6-ethyl-3-pyridinyl)piperazin-2-one?
The canonical SMILES for 1-(6-ethyl-3-pyridinyl)piperazin-2-one is CCc1ccc(N2CCNCC2=O)cn1.
What is the InChIKey of 1-(6-ethyl-3-pyridinyl)piperazin-2-one?
The InChIKey is IBJRILPSFRYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-9-3-4-10(7-13-9)14-6-5-12-8-11(14)15/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of 1-(6-ethyl-3-pyridinyl)piperazin-2-one?
1-(6-ethyl-3-pyridinyl)piperazin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-3-pyridinyl)piperazin-2-one is sourced from PubChem (CID 139539008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).