ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane

C40H80N10O8 — CID 158087941

IUPACethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane
SMILESC.CC.CC.CCN1C(=O)CN(C)CC1=O.CCN1CC(=O)N(C)C(=O)C1.CCN1CCN(C)C(=O)C1.CCN1CCN(C)C(=O)C1=O.CCN1CCN(C)CC1=O
InChIInChI=1S/3C7H12N2O2.2C7H14N2O.2C2H6.CH4/c1-3-9-4-6(10)8(2)7(11)5-9;1-3-9-6(10)4-8(2)5-7(9)11;1-3-9-5-4-8(2)6(10)7(9)11;1-3-9-5-4-8(2)7(10)6-9;1-3-9-5-4-8(2)6-7(9)10;2*1-2;/h3*3-5H2,1-2H3;2*3-6H2,1-2H3;2*1-2H3;1H4
InChIKeyFNSXVCBXWYGUGX-UHFFFAOYSA-N
MW829.14 g/mol
LogP0.17
Rot. Bonds5

About ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane

ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane (PubChem CID 158087941) has the molecular formula C40H80N10O8 and a molecular weight of 829.14 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane
PubChem CID158087941
Molecular FormulaC40H80N10O8
Molecular Weight829.14 g/mol
Exact Mass828.62
IUPAC Nameethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane
SMILESC.CC.CC.CCN1C(=O)CN(C)CC1=O.CCN1CC(=O)N(C)C(=O)C1.CCN1CCN(C)C(=O)C1.CCN1CCN(C)C(=O)C1=O.CCN1CCN(C)CC1=O
InChIInChI=1S/3C7H12N2O2.2C7H14N2O.2C2H6.CH4/c1-3-9-4-6(10)8(2)7(11)5-9;1-3-9-6(10)4-8(2)5-7(9)11;1-3-9-5-4-8(2)6(10)7(9)11;1-3-9-5-4-8(2)7(10)6-9;1-3-9-5-4-8(2)6-7(9)10;2*1-2;/h3*3-5H2,1-2H3;2*3-6H2,1-2H3;2*1-2H3;1H4
InChIKeyFNSXVCBXWYGUGX-UHFFFAOYSA-N
XLogP0.17
TPSA168.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.14
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane with MolForge

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Related Compounds

3-(4-Methylpiperazin-1-yl)-1-[4-[3-[4-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]piperazin-1-yl]propanoyl]piperazin-1-yl]propan-1-one
CID 22086287
Methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
1,4-Dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane
CID 157133118
Ethane;3-(4-methylpiperazin-1-yl)-1-[4-[3-[4-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]piperazin-1-yl]propanoyl]piperazin-1-yl]propan-1-one
CID 157188147
1-Ethyl-2,4-dimethylpiperazine;4-ethyl-1,2-dimethylpiperazine;1-ethyl-4-methylpiperazine;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;1-ethyl-2,3,4-trimethylpiperazine;1-ethyl-2,4,6-trimethylpiperazine;4-ethyl-1,2,6-trimethylpiperazine
CID 157371970
CID 157844819
CID 157844819
2-(Didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone
CID 158630040
CID 159169093
CID 159169093
Methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 160808307
CID 160964399
CID 160964399
CID 161300721
CID 161300721
1,4-Di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazine);bis(1-(4-propan-2-ylpiperazin-1-yl)ethanone)
CID 161574317

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane?
The IUPAC name of ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane (CID 158087941) is ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane.
What is the SMILES notation for ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane?
The canonical SMILES for ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane is C.CC.CC.CCN1C(=O)CN(C)CC1=O.CCN1CC(=O)N(C)C(=O)C1.CCN1CCN(C)C(=O)C1.CCN1CCN(C)C(=O)C1=O.CCN1CCN(C)CC1=O.
What is the InChIKey of ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane?
The InChIKey is FNSXVCBXWYGUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2O2.2C7H14N2O.2C2H6.CH4/c1-3-9-4-6(10)8(2)7(11)5-9;1-3-9-6(10)4-8(2)5-7(9)11;1-3-9-5-4-8(2)6(10)7(9)11;1-3-9-5-4-8(2)7(10)6-9;1-3-9-5-4-8(2)6-7(9)10;2*1-2;/h3*3-5H2,1-2H3;2*3-6H2,1-2H3;2*1-2H3;1H4.
What are the key properties of ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane?
ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane has a molecular weight of 829.14 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane is sourced from PubChem (CID 158087941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).