4-dodecanoylpiperazine-2,6-dione

C16H28N2O3 — CID 2775706

IUPAC4-dodecanoylpiperazine-2,6-dione
SMILESCCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-10-11-16(21)18-12-14(19)17-15(20)13-18/h2-13H2,1H3,(H,17,19,20)
InChIKeyIDHQZKBICOXDJO-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.39
Rot. Bonds10

About 4-dodecanoylpiperazine-2,6-dione

4-dodecanoylpiperazine-2,6-dione (PubChem CID 2775706) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-dodecanoylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-dodecanoylpiperazine-2,6-dione
PubChem CID2775706
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-dodecanoylpiperazine-2,6-dione
SMILESCCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-10-11-16(21)18-12-14(19)17-15(20)13-18/h2-13H2,1H3,(H,17,19,20)
InChIKeyIDHQZKBICOXDJO-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dodecanoylpiperazine-2,6-dione?
The IUPAC name of 4-dodecanoylpiperazine-2,6-dione (CID 2775706) is 4-dodecanoylpiperazine-2,6-dione.
What is the SMILES notation for 4-dodecanoylpiperazine-2,6-dione?
The canonical SMILES for 4-dodecanoylpiperazine-2,6-dione is CCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-dodecanoylpiperazine-2,6-dione?
The InChIKey is IDHQZKBICOXDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-10-11-16(21)18-12-14(19)17-15(20)13-18/h2-13H2,1H3,(H,17,19,20).
What are the key properties of 4-dodecanoylpiperazine-2,6-dione?
4-dodecanoylpiperazine-2,6-dione has a molecular weight of 296.41 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecanoylpiperazine-2,6-dione is sourced from PubChem (CID 2775706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).