(6R)-1,6-dibutylpiperazine-2,3-dione

C12H22N2O2 — CID 53299351

IUPAC(6R)-1,6-dibutylpiperazine-2,3-dione
SMILESCCCC[C@@H]1CNC(=O)C(=O)N1CCCC
InChIInChI=1S/C12H22N2O2/c1-3-5-7-10-9-13-11(15)12(16)14(10)8-6-4-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyCLBJMHAZOIJENM-SNVBAGLBSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds6

About (6R)-1,6-dibutylpiperazine-2,3-dione

(6R)-1,6-dibutylpiperazine-2,3-dione (PubChem CID 53299351) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (6R)-1,6-dibutylpiperazine-2,3-dione.

Molecular Properties

Compound Name(6R)-1,6-dibutylpiperazine-2,3-dione
PubChem CID53299351
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(6R)-1,6-dibutylpiperazine-2,3-dione
SMILESCCCC[C@@H]1CNC(=O)C(=O)N1CCCC
InChIInChI=1S/C12H22N2O2/c1-3-5-7-10-9-13-11(15)12(16)14(10)8-6-4-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyCLBJMHAZOIJENM-SNVBAGLBSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-1,6-dibutylpiperazine-2,3-dione?
The IUPAC name of (6R)-1,6-dibutylpiperazine-2,3-dione (CID 53299351) is (6R)-1,6-dibutylpiperazine-2,3-dione.
What is the SMILES notation for (6R)-1,6-dibutylpiperazine-2,3-dione?
The canonical SMILES for (6R)-1,6-dibutylpiperazine-2,3-dione is CCCC[C@@H]1CNC(=O)C(=O)N1CCCC.
What is the InChIKey of (6R)-1,6-dibutylpiperazine-2,3-dione?
The InChIKey is CLBJMHAZOIJENM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-5-7-10-9-13-11(15)12(16)14(10)8-6-4-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (6R)-1,6-dibutylpiperazine-2,3-dione?
(6R)-1,6-dibutylpiperazine-2,3-dione has a molecular weight of 226.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,6-dibutylpiperazine-2,3-dione is sourced from PubChem (CID 53299351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).