3-ethyl-1-methylpiperazine-2,5-dione

C7H12N2O2 — CID 64880969

IUPAC3-ethyl-1-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-3-5-7(11)9(2)4-6(10)8-5/h5H,3-4H2,1-2H3,(H,8,10)
InChIKeyJPBVWFMNJSDTJG-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.65
Rot. Bonds1

About 3-ethyl-1-methylpiperazine-2,5-dione

3-ethyl-1-methylpiperazine-2,5-dione (PubChem CID 64880969) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-ethyl-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-methylpiperazine-2,5-dione
PubChem CID64880969
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3-ethyl-1-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-3-5-7(11)9(2)4-6(10)8-5/h5H,3-4H2,1-2H3,(H,8,10)
InChIKeyJPBVWFMNJSDTJG-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-methylpiperazine-2,5-dione (CID 64880969) is 3-ethyl-1-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-methylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-methylpiperazine-2,5-dione is CCC1NC(=O)CN(C)C1=O.
What is the InChIKey of 3-ethyl-1-methylpiperazine-2,5-dione?
The InChIKey is JPBVWFMNJSDTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5-7(11)9(2)4-6(10)8-5/h5H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 3-ethyl-1-methylpiperazine-2,5-dione?
3-ethyl-1-methylpiperazine-2,5-dione has a molecular weight of 156.19 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 64880969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).