1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione

C14H24N2O2 — CID 113466183

IUPAC1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESC=CCCN1C(=O)C(C(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C14H24N2O2/c1-6-7-8-16-12(10(4)5)13(17)15-11(9(2)3)14(16)18/h6,9-12H,1,7-8H2,2-5H3,(H,15,17)
InChIKeyGMKSZKAOERXZKC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.57
Rot. Bonds5

About 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione

1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 113466183) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID113466183
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESC=CCCN1C(=O)C(C(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C14H24N2O2/c1-6-7-8-16-12(10(4)5)13(17)15-11(9(2)3)14(16)18/h6,9-12H,1,7-8H2,2-5H3,(H,15,17)
InChIKeyGMKSZKAOERXZKC-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-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 106409840
1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409860
6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
CID 64872821
3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971148
1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 107056430
3-(2-methylpropyl)-6-propan-2-yl-1-(2-prop-2-enylsulfanylethyl)piperazine-2,5-dione
CID 106432930
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64872817
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64968489
6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 65178143
3-butan-2-yl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645603

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 113466183) is 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione is C=CCCN1C(=O)C(C(C)C)NC(=O)C1C(C)C.
What is the InChIKey of 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is GMKSZKAOERXZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-7-8-16-12(10(4)5)13(17)15-11(9(2)3)14(16)18/h6,9-12H,1,7-8H2,2-5H3,(H,15,17).
What are the key properties of 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-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 1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 113466183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).