(5S,6S)-5,6-dimethylpiperazine-2,3-dione

C6H10N2O2 — CID 162361681

IUPAC(5S,6S)-5,6-dimethylpiperazine-2,3-dione
SMILESC[C@@H]1NC(=O)C(=O)N[C@H]1C
InChIInChI=1S/C6H10N2O2/c1-3-4(2)8-6(10)5(9)7-3/h3-4H,1-2H3,(H,7,9)(H,8,10)/t3-,4-/m0/s1
InChIKeyYQIVDGQZONDUOP-IMJSIDKUSA-N
MW142.16 g/mol
LogP-0.99
Rot. Bonds

About (5S,6S)-5,6-dimethylpiperazine-2,3-dione

(5S,6S)-5,6-dimethylpiperazine-2,3-dione (PubChem CID 162361681) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (5S,6S)-5,6-dimethylpiperazine-2,3-dione.

Molecular Properties

Compound Name(5S,6S)-5,6-dimethylpiperazine-2,3-dione
PubChem CID162361681
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(5S,6S)-5,6-dimethylpiperazine-2,3-dione
SMILESC[C@@H]1NC(=O)C(=O)N[C@H]1C
InChIInChI=1S/C6H10N2O2/c1-3-4(2)8-6(10)5(9)7-3/h3-4H,1-2H3,(H,7,9)(H,8,10)/t3-,4-/m0/s1
InChIKeyYQIVDGQZONDUOP-IMJSIDKUSA-N
XLogP-0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
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 (5S,6S)-5,6-dimethylpiperazine-2,3-dione?
The IUPAC name of (5S,6S)-5,6-dimethylpiperazine-2,3-dione (CID 162361681) is (5S,6S)-5,6-dimethylpiperazine-2,3-dione.
What is the SMILES notation for (5S,6S)-5,6-dimethylpiperazine-2,3-dione?
The canonical SMILES for (5S,6S)-5,6-dimethylpiperazine-2,3-dione is C[C@@H]1NC(=O)C(=O)N[C@H]1C.
What is the InChIKey of (5S,6S)-5,6-dimethylpiperazine-2,3-dione?
The InChIKey is YQIVDGQZONDUOP-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-4(2)8-6(10)5(9)7-3/h3-4H,1-2H3,(H,7,9)(H,8,10)/t3-,4-/m0/s1.
What are the key properties of (5S,6S)-5,6-dimethylpiperazine-2,3-dione?
(5S,6S)-5,6-dimethylpiperazine-2,3-dione has a molecular weight of 142.16 g/mol, XLogP of -0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-dimethylpiperazine-2,3-dione is sourced from PubChem (CID 162361681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).