ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one

C11H22N4O2 — CID 143164521

IUPACethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one
SMILESCC.CN1CCN(N2CCNC(=O)C2)C(=O)C1
InChIInChI=1S/C9H16N4O2.C2H6/c1-11-4-5-13(9(15)7-11)12-3-2-10-8(14)6-12;1-2/h2-7H2,1H3,(H,10,14);1-2H3
InChIKeyVGTIJZQZFCLOIW-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.87
Rot. Bonds1

About ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one

ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one (PubChem CID 143164521) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one.

Molecular Properties

Compound Nameethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one
PubChem CID143164521
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Nameethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one
SMILESCC.CN1CCN(N2CCNC(=O)C2)C(=O)C1
InChIInChI=1S/C9H16N4O2.C2H6/c1-11-4-5-13(9(15)7-11)12-3-2-10-8(14)6-12;1-2/h2-7H2,1H3,(H,10,14);1-2H3
InChIKeyVGTIJZQZFCLOIW-UHFFFAOYSA-N
XLogP-0.87
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,3S)-3-(3-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166630060
4-[3-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 132047299
Oxamide, N-methyl-N'-[2-(4-piperazinyl)ethyl]-
CID 567248
Piperazinyldiketone
CID 13750373
(+/-)-1,2-Di(dioxopiperazin-1-yl)propane
CID 23036702
1,4,7,10-Tetraazabicyclo[8.2.2]tetradecane-11,12-dione
CID 10799267
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperazin-1-ylacetamide
CID 63694521
2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994575
1-Methyl-4-(piperazin-1-ylacetyl)piperazine
CID 14090605
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 18715458
1-(2,3-Dioxopiperazin-1-yl)piperazine-2,3-dione
CID 19085513
1,4-Dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione
CID 19808084

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one?
The IUPAC name of ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one (CID 143164521) is ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one.
What is the SMILES notation for ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one?
The canonical SMILES for ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one is CC.CN1CCN(N2CCNC(=O)C2)C(=O)C1.
What is the InChIKey of ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one?
The InChIKey is VGTIJZQZFCLOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2.C2H6/c1-11-4-5-13(9(15)7-11)12-3-2-10-8(14)6-12;1-2/h2-7H2,1H3,(H,10,14);1-2H3.
What are the key properties of ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one?
ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one has a molecular weight of 242.32 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one is sourced from PubChem (CID 143164521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).