1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione

C11H18N2O2 — CID 10584580

IUPAC1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione
SMILESC=C1C(=O)N(C)C(CC(C)C)C(=O)N1C
InChIInChI=1S/C11H18N2O2/c1-7(2)6-9-11(15)12(4)8(3)10(14)13(9)5/h7,9H,3,6H2,1-2,4-5H3
InChIKeyGESGPDDPBSMYHT-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.85
Rot. Bonds2

About 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione

1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 10584580) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID10584580
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione
SMILESC=C1C(=O)N(C)C(CC(C)C)C(=O)N1C
InChIInChI=1S/C11H18N2O2/c1-7(2)6-9-11(15)12(4)8(3)10(14)13(9)5/h7,9H,3,6H2,1-2,4-5H3
InChIKeyGESGPDDPBSMYHT-UHFFFAOYSA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione (CID 10584580) is 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione is C=C1C(=O)N(C)C(CC(C)C)C(=O)N1C.
What is the InChIKey of 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is GESGPDDPBSMYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)6-9-11(15)12(4)8(3)10(14)13(9)5/h7,9H,3,6H2,1-2,4-5H3.
What are the key properties of 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione?
1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 10584580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).