(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione

C13H24N2O2 — CID 53299341

IUPAC(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
SMILESCCC(C)[C@H]1CNC(=O)C(=O)N1CC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-6-9(2)10-7-14-11(16)12(17)15(10)8-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyOAOGUUALRUCYIQ-QVDQXJPCSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds3

About (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione

(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione (PubChem CID 53299341) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
PubChem CID53299341
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
SMILESCCC(C)[C@H]1CNC(=O)C(=O)N1CC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-6-9(2)10-7-14-11(16)12(17)15(10)8-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyOAOGUUALRUCYIQ-QVDQXJPCSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
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 (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The IUPAC name of (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione (CID 53299341) is (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione.
What is the SMILES notation for (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The canonical SMILES for (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione is CCC(C)[C@H]1CNC(=O)C(=O)N1CC(C)(C)C.
What is the InChIKey of (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The InChIKey is OAOGUUALRUCYIQ-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-9(2)10-7-14-11(16)12(17)15(10)8-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)/t9?,10-/m1/s1.
What are the key properties of (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione has a molecular weight of 240.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione is sourced from PubChem (CID 53299341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).