1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione

C15H26N2O2 — CID 107898305

IUPAC1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C)(CC)NC(=O)C1CC(C)C
InChIInChI=1S/C15H26N2O2/c1-6-8-9-17-12(10-11(3)4)13(18)16-15(5,7-2)14(17)19/h6,8,11-12H,7,9-10H2,1-5H3,(H,16,18)/b8-6+
InChIKeyXLDWBXLHLHOHRM-SOFGYWHQSA-N
MW266.38 g/mol
LogP2.10
Rot. Bonds5

About 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione

1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 107898305) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID107898305
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C)(CC)NC(=O)C1CC(C)C
InChIInChI=1S/C15H26N2O2/c1-6-8-9-17-12(10-11(3)4)13(18)16-15(5,7-2)14(17)19/h6,8,11-12H,7,9-10H2,1-5H3,(H,16,18)/b8-6+
InChIKeyXLDWBXLHLHOHRM-SOFGYWHQSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107902225
3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione
CID 64886055
3-ethyl-3-methyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64885290
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
1-[(E)-but-2-enyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 107898402
3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959773
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
3,3-diethyl-6-(2-methylpropyl)-1-propylpiperazine-2,5-dione
CID 64884826
1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 104830230
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 107898305) is 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is C/C=C/CN1C(=O)C(C)(CC)NC(=O)C1CC(C)C.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is XLDWBXLHLHOHRM-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-8-9-17-12(10-11(3)4)13(18)16-15(5,7-2)14(17)19/h6,8,11-12H,7,9-10H2,1-5H3,(H,16,18)/b8-6+.
What are the key properties of 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 107898305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).