1,4-dihexylpiperazine-2,3-dione

C16H30N2O2 — CID 141211554

IUPAC1,4-dihexylpiperazine-2,3-dione
SMILESCCCCCCN1CCN(CCCCCC)C(=O)C1=O
InChIInChI=1S/C16H30N2O2/c1-3-5-7-9-11-17-13-14-18(16(20)15(17)19)12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyLQBIOEGEHXFZIO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.82
Rot. Bonds10

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

1,4-dihexylpiperazine-2,3-dione (PubChem CID 141211554) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,4-dihexylpiperazine-2,3-dione.

Molecular Properties

Compound Name1,4-dihexylpiperazine-2,3-dione
PubChem CID141211554
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1,4-dihexylpiperazine-2,3-dione
SMILESCCCCCCN1CCN(CCCCCC)C(=O)C1=O
InChIInChI=1S/C16H30N2O2/c1-3-5-7-9-11-17-13-14-18(16(20)15(17)19)12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyLQBIOEGEHXFZIO-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of 1,4-dihexylpiperazine-2,3-dione?
The IUPAC name of 1,4-dihexylpiperazine-2,3-dione (CID 141211554) is 1,4-dihexylpiperazine-2,3-dione.
What is the SMILES notation for 1,4-dihexylpiperazine-2,3-dione?
The canonical SMILES for 1,4-dihexylpiperazine-2,3-dione is CCCCCCN1CCN(CCCCCC)C(=O)C1=O.
What is the InChIKey of 1,4-dihexylpiperazine-2,3-dione?
The InChIKey is LQBIOEGEHXFZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-7-9-11-17-13-14-18(16(20)15(17)19)12-10-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1,4-dihexylpiperazine-2,3-dione?
1,4-dihexylpiperazine-2,3-dione has a molecular weight of 282.43 g/mol, XLogP of 2.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihexylpiperazine-2,3-dione is sourced from PubChem (CID 141211554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).