(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione

C13H24N2O2 — CID 16745935

IUPAC(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
SMILESCCCC[C@@H]1CNC(=O)C(=O)N1CC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-5-6-7-10-8-14-11(16)12(17)15(10)9-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyIRKVZYLFLQPGTO-SNVBAGLBSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds4

About (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione

(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione (PubChem CID 16745935) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
PubChem CID16745935
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
SMILESCCCC[C@@H]1CNC(=O)C(=O)N1CC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-5-6-7-10-8-14-11(16)12(17)15(10)9-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyIRKVZYLFLQPGTO-SNVBAGLBSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
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)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The IUPAC name of (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione (CID 16745935) is (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione.
What is the SMILES notation for (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The canonical SMILES for (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione is CCCC[C@@H]1CNC(=O)C(=O)N1CC(C)(C)C.
What is the InChIKey of (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The InChIKey is IRKVZYLFLQPGTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-6-7-10-8-14-11(16)12(17)15(10)9-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione is sourced from PubChem (CID 16745935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).