1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one

C13H21N3O2 — CID 178099185

IUPAC1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one
SMILESCCOCCn1cccc(N2CCNCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-18-11-10-16-7-3-4-12(13(16)17)15-8-5-14-6-9-15/h3-4,7,14H,2,5-6,8-11H2,1H3
InChIKeyIMVDOQQJHJDBRZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.29
Rot. Bonds5

About 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one

1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one (PubChem CID 178099185) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one
PubChem CID178099185
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one
SMILESCCOCCn1cccc(N2CCNCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-18-11-10-16-7-3-4-12(13(16)17)15-8-5-14-6-9-15/h3-4,7,14H,2,5-6,8-11H2,1H3
InChIKeyIMVDOQQJHJDBRZ-UHFFFAOYSA-N
XLogP0.29
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one (CID 178099185) is 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one is CCOCCn1cccc(N2CCNCC2)c1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one?
The InChIKey is IMVDOQQJHJDBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-18-11-10-16-7-3-4-12(13(16)17)15-8-5-14-6-9-15/h3-4,7,14H,2,5-6,8-11H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one?
1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-piperazin-1-ylpyridin-2-one is sourced from PubChem (CID 178099185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).