3-ethylpiperazin-2-one

C6H12N2O — CID 4712457

IUPAC3-ethylpiperazin-2-one
SMILESCCC1NCCNC1=O
InChIInChI=1S/C6H12N2O/c1-2-5-6(9)8-4-3-7-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyBAOOEQIOVFBREJ-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.52
Rot. Bonds1

About 3-ethylpiperazin-2-one

3-ethylpiperazin-2-one (PubChem CID 4712457) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-ethylpiperazin-2-one.

Molecular Properties

Compound Name3-ethylpiperazin-2-one
PubChem CID4712457
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-ethylpiperazin-2-one
SMILESCCC1NCCNC1=O
InChIInChI=1S/C6H12N2O/c1-2-5-6(9)8-4-3-7-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyBAOOEQIOVFBREJ-UHFFFAOYSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpiperazin-2-one?
The IUPAC name of 3-ethylpiperazin-2-one (CID 4712457) is 3-ethylpiperazin-2-one.
What is the SMILES notation for 3-ethylpiperazin-2-one?
The canonical SMILES for 3-ethylpiperazin-2-one is CCC1NCCNC1=O.
What is the InChIKey of 3-ethylpiperazin-2-one?
The InChIKey is BAOOEQIOVFBREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5-6(9)8-4-3-7-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-ethylpiperazin-2-one?
3-ethylpiperazin-2-one has a molecular weight of 128.18 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpiperazin-2-one is sourced from PubChem (CID 4712457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).