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

C6H10N2O2 — CID 676439

IUPAC(3R,6R)-3,6-dimethylpiperazine-2,5-dione
SMILESC[C@H]1NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m1/s1
InChIKeyWWISPHBAYBECQZ-QWWZWVQMSA-N
MW142.16 g/mol
LogP-0.99
Rot. Bonds

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

(3R,6R)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 676439) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (3R,6R)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6R)-3,6-dimethylpiperazine-2,5-dione
PubChem CID676439
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(3R,6R)-3,6-dimethylpiperazine-2,5-dione
SMILESC[C@H]1NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m1/s1
InChIKeyWWISPHBAYBECQZ-QWWZWVQMSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of (3R,6R)-3,6-dimethylpiperazine-2,5-dione (CID 676439) is (3R,6R)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for (3R,6R)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for (3R,6R)-3,6-dimethylpiperazine-2,5-dione is C[C@H]1NC(=O)[C@@H](C)NC1=O.
What is the InChIKey of (3R,6R)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is WWISPHBAYBECQZ-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m1/s1.
What are the key properties of (3R,6R)-3,6-dimethylpiperazine-2,5-dione?
(3R,6R)-3,6-dimethylpiperazine-2,5-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 (3R,6R)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 676439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).