1,4-didecylpiperazine-2,3-dione

C24H46N2O2 — CID 10069235

IUPAC1,4-didecylpiperazine-2,3-dione
SMILESCCCCCCCCCCN1CCN(CCCCCCCCCC)C(=O)C1=O
InChIInChI=1S/C24H46N2O2/c1-3-5-7-9-11-13-15-17-19-25-21-22-26(24(28)23(25)27)20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyLWNMRECRIWOFPO-UHFFFAOYSA-N
MW394.64 g/mol
LogP5.94
Rot. Bonds18

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

1,4-didecylpiperazine-2,3-dione (PubChem CID 10069235) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 1,4-didecylpiperazine-2,3-dione.

Molecular Properties

Compound Name1,4-didecylpiperazine-2,3-dione
PubChem CID10069235
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name1,4-didecylpiperazine-2,3-dione
SMILESCCCCCCCCCCN1CCN(CCCCCCCCCC)C(=O)C1=O
InChIInChI=1S/C24H46N2O2/c1-3-5-7-9-11-13-15-17-19-25-21-22-26(24(28)23(25)27)20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyLWNMRECRIWOFPO-UHFFFAOYSA-N
XLogP5.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.94
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'}

Analyze 1,4-didecylpiperazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-cyclododecyl-N-methyl-2-(piperidin-1-yl)acetamide
CID 146020950
Dioctyl diketopiperazine
CID 162393250
4-Acetyl-1-methyl-1-tetradecylpiperazinium bromide
CID 3030214

Frequently Asked Questions

What is the IUPAC name of 1,4-didecylpiperazine-2,3-dione?
The IUPAC name of 1,4-didecylpiperazine-2,3-dione (CID 10069235) is 1,4-didecylpiperazine-2,3-dione.
What is the SMILES notation for 1,4-didecylpiperazine-2,3-dione?
The canonical SMILES for 1,4-didecylpiperazine-2,3-dione is CCCCCCCCCCN1CCN(CCCCCCCCCC)C(=O)C1=O.
What is the InChIKey of 1,4-didecylpiperazine-2,3-dione?
The InChIKey is LWNMRECRIWOFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-3-5-7-9-11-13-15-17-19-25-21-22-26(24(28)23(25)27)20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3.
What are the key properties of 1,4-didecylpiperazine-2,3-dione?
1,4-didecylpiperazine-2,3-dione has a molecular weight of 394.64 g/mol, XLogP of 5.94, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-didecylpiperazine-2,3-dione is sourced from PubChem (CID 10069235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).