6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione

C14H24N2O2 — CID 64872821

IUPAC6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(C(C)C)NC(=O)C1CC(C)C
InChIInChI=1S/C14H24N2O2/c1-6-7-16-11(8-9(2)3)13(17)15-12(10(4)5)14(16)18/h6,9-12H,1,7-8H2,2-5H3,(H,15,17)
InChIKeyXWNZLXVCBPUQCT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.57
Rot. Bonds5

About 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione

6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione (PubChem CID 64872821) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
PubChem CID64872821
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(C(C)C)NC(=O)C1CC(C)C
InChIInChI=1S/C14H24N2O2/c1-6-7-16-11(8-9(2)3)13(17)15-12(10(4)5)14(16)18/h6,9-12H,1,7-8H2,2-5H3,(H,15,17)
InChIKeyXWNZLXVCBPUQCT-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.57
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-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873014
1-(2-methoxyethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873401
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183
1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 107898189
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 3028854
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione
CID 64886055
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
1-[(E)-3-chloroprop-2-enyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 107901996
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione (CID 64872821) is 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione is C=CCN1C(=O)C(C(C)C)NC(=O)C1CC(C)C.
What is the InChIKey of 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione?
The InChIKey is XWNZLXVCBPUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-7-16-11(8-9(2)3)13(17)15-12(10(4)5)14(16)18/h6,9-12H,1,7-8H2,2-5H3,(H,15,17).
What are the key properties of 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione?
6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 64872821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).