1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione

C12H14N2O4 — CID 139972962

IUPAC1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione
SMILESC=C(C)C(=O)N1CCN(C(=O)C(=C)C)C(=O)C1=O
InChIInChI=1S/C12H14N2O4/c1-7(2)9(15)13-5-6-14(10(16)8(3)4)12(18)11(13)17/h1,3,5-6H2,2,4H3
InChIKeyOQLUTGFRHQGSFF-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.14
Rot. Bonds2

About 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione

1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione (PubChem CID 139972962) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione
PubChem CID139972962
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione
SMILESC=C(C)C(=O)N1CCN(C(=O)C(=C)C)C(=O)C1=O
InChIInChI=1S/C12H14N2O4/c1-7(2)9(15)13-5-6-14(10(16)8(3)4)12(18)11(13)17/h1,3,5-6H2,2,4H3
InChIKeyOQLUTGFRHQGSFF-UHFFFAOYSA-N
XLogP-0.14
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1'-(Piperazine-1,4-diyl)bis(2-methylprop-2-en-1-one)
CID 22256106
2-(4-acetylpiperazin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 45798015
1,4-Bis(2-methylprop-2-enyl)piperazine-2,3-dione
CID 162417385
2-Methyl-1-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]prop-2-en-1-one
CID 108932492
(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione
CID 10680630
N-Methylpiperazine methacrylamide
CID 13907320
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-2-methylprop-2-en-1-one
CID 13907322
4-(2-Methylprop-2-enoyl)piperazine-1-carbonyl chloride
CID 19349359
1-(4-Ethylpiperazin-1-yl)-2-methylprop-2-en-1-one
CID 19872358
3-[4-(2-Methylprop-2-enoyl)piperazin-1-yl]-3-oxopropanenitrile
CID 20441767
1-(4-Acryloylpiperazin-1-yl)-2-methylprop-2-en-1-one
CID 54347693
4-(2-Methylprop-2-enoyl)piperazine-1-carbaldehyde
CID 54527716

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione?
The IUPAC name of 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione (CID 139972962) is 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione.
What is the SMILES notation for 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione?
The canonical SMILES for 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione is C=C(C)C(=O)N1CCN(C(=O)C(=C)C)C(=O)C1=O.
What is the InChIKey of 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione?
The InChIKey is OQLUTGFRHQGSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(2)9(15)13-5-6-14(10(16)8(3)4)12(18)11(13)17/h1,3,5-6H2,2,4H3.
What are the key properties of 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione?
1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione has a molecular weight of 250.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-methylprop-2-enoyl)piperazine-2,3-dione is sourced from PubChem (CID 139972962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).