1,4-dioctylpiperazine-2,3-dione

C20H38N2O2 — CID 162393250

IUPAC1,4-dioctylpiperazine-2,3-dione
SMILESCCCCCCCCN1CCN(CCCCCCCC)C(=O)C1=O
InChIInChI=1S/C20H38N2O2/c1-3-5-7-9-11-13-15-21-17-18-22(20(24)19(21)23)16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyWSSVXSJTWBNUMD-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.38
Rot. Bonds14

About 1,4-dioctylpiperazine-2,3-dione

1,4-dioctylpiperazine-2,3-dione (PubChem CID 162393250) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1,4-dioctylpiperazine-2,3-dione.

Molecular Properties

Compound Name1,4-dioctylpiperazine-2,3-dione
PubChem CID162393250
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name1,4-dioctylpiperazine-2,3-dione
SMILESCCCCCCCCN1CCN(CCCCCCCC)C(=O)C1=O
InChIInChI=1S/C20H38N2O2/c1-3-5-7-9-11-13-15-21-17-18-22(20(24)19(21)23)16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyWSSVXSJTWBNUMD-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Piperazinedione, 1-octyl-
CID 3042435
1-Piperidineacetamide, N-dodecyl-
CID 3064220
1,4-Bis(1-oxododecyl)piperazine
CID 81108
1-Piperidineacetamide, N-nonyl-
CID 3063687
N,N'-dioctanoylpiperazine
CID 3094208
N,N'-didecanoylpiperazine
CID 4623369
1,4-Dibutylpiperazine-2,5-dione
CID 19902955
2,2'-(Methylimino)bis(N,N-di-n-octylacetamide)
CID 71551252
N,N,N',N',N'',N''-hexa-n-octylnitrilotriacetamide
CID 102490614
1,4-Didecylpiperazine-2,3-dione
CID 10069235
N-cyclododecyl-N-methyl-2-(piperidin-1-yl)acetamide
CID 146020950
4-Acetyl-1-methyl-1-tetradecylpiperazinium bromide
CID 3030214

Frequently Asked Questions

What is the IUPAC name of 1,4-dioctylpiperazine-2,3-dione?
The IUPAC name of 1,4-dioctylpiperazine-2,3-dione (CID 162393250) is 1,4-dioctylpiperazine-2,3-dione.
What is the SMILES notation for 1,4-dioctylpiperazine-2,3-dione?
The canonical SMILES for 1,4-dioctylpiperazine-2,3-dione is CCCCCCCCN1CCN(CCCCCCCC)C(=O)C1=O.
What is the InChIKey of 1,4-dioctylpiperazine-2,3-dione?
The InChIKey is WSSVXSJTWBNUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-3-5-7-9-11-13-15-21-17-18-22(20(24)19(21)23)16-14-12-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 1,4-dioctylpiperazine-2,3-dione?
1,4-dioctylpiperazine-2,3-dione has a molecular weight of 338.54 g/mol, XLogP of 4.38, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioctylpiperazine-2,3-dione is sourced from PubChem (CID 162393250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).