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

C12H18N2O2 — CID 162417385

IUPAC1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione
SMILESC=C(C)CN1CCN(CC(=C)C)C(=O)C1=O
InChIInChI=1S/C12H18N2O2/c1-9(2)7-13-5-6-14(8-10(3)4)12(16)11(13)15/h1,3,5-8H2,2,4H3
InChIKeyOSFIVDFRIHNOBB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.81
Rot. Bonds4

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

1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione (PubChem CID 162417385) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione
PubChem CID162417385
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione
SMILESC=C(C)CN1CCN(CC(=C)C)C(=O)C1=O
InChIInChI=1S/C12H18N2O2/c1-9(2)7-13-5-6-14(8-10(3)4)12(16)11(13)15/h1,3,5-8H2,2,4H3
InChIKeyOSFIVDFRIHNOBB-UHFFFAOYSA-N
XLogP0.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione?
The IUPAC name of 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione (CID 162417385) is 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione.
What is the SMILES notation for 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione?
The canonical SMILES for 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione is C=C(C)CN1CCN(CC(=C)C)C(=O)C1=O.
What is the InChIKey of 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione?
The InChIKey is OSFIVDFRIHNOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)7-13-5-6-14(8-10(3)4)12(16)11(13)15/h1,3,5-8H2,2,4H3.
What are the key properties of 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione?
1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione has a molecular weight of 222.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-methylprop-2-enyl)piperazine-2,3-dione is sourced from PubChem (CID 162417385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).