1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione

C11H16N2O2 — CID 64955845

IUPAC1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CC=CCC2)C(=O)CN1
InChIInChI=1S/C11H16N2O2/c14-10-8-13(11(15)6-12-10)7-9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,12,14)
InChIKeyMIJBARFHHLWZHK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.30
Rot. Bonds2

About 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione

1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione (PubChem CID 64955845) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione
PubChem CID64955845
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CC=CCC2)C(=O)CN1
InChIInChI=1S/C11H16N2O2/c14-10-8-13(11(15)6-12-10)7-9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,12,14)
InChIKeyMIJBARFHHLWZHK-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.30
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-(cyclobutylmethyl)piperazine-2,5-dione
CID 64956054
1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione
CID 79777588
1-(oxan-3-ylmethyl)piperazine-2,5-dione
CID 64955690
1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 112597883
1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64968026
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
ethane;1-propylpiperazine-2,5-dione
CID 165138491
1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64968016
3-cyclohex-3-en-1-ylimidazolidine-2,4-dione
CID 103936459
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64874237
6-(cyclohex-3-en-1-ylmethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24926586
1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
CID 106422160

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione (CID 64955845) is 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione is O=C1CN(CC2CC=CCC2)C(=O)CN1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione?
The InChIKey is MIJBARFHHLWZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-8-13(11(15)6-12-10)7-9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,12,14).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione?
1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione has a molecular weight of 208.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64955845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).