1,3,6-trimethylpiperazine-2,5-dione

C7H12N2O2 — CID 45117251

IUPAC1,3,6-trimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-4-7(11)9(3)5(2)6(10)8-4/h4-5H,1-3H3,(H,8,10)
InChIKeyLAFVTZVRNASYMJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.65
Rot. Bonds

About 1,3,6-trimethylpiperazine-2,5-dione

1,3,6-trimethylpiperazine-2,5-dione (PubChem CID 45117251) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,3,6-trimethylpiperazine-2,5-dione
PubChem CID45117251
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1,3,6-trimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-4-7(11)9(3)5(2)6(10)8-4/h4-5H,1-3H3,(H,8,10)
InChIKeyLAFVTZVRNASYMJ-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
1-Ethyl-2,3-piperazinedione
CID 108812
2-Piperazinone, 3,3-dimethyl-
CID 211157
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
N-isopropyl-1-piperazineacetamide
CID 100826
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
Alanine anhydride, trans-(A+-)-
CID 676438

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1,3,6-trimethylpiperazine-2,5-dione (CID 45117251) is 1,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1,3,6-trimethylpiperazine-2,5-dione is CC1NC(=O)C(C)N(C)C1=O.
What is the InChIKey of 1,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is LAFVTZVRNASYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-7(11)9(3)5(2)6(10)8-4/h4-5H,1-3H3,(H,8,10).
What are the key properties of 1,3,6-trimethylpiperazine-2,5-dione?
1,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 156.18 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 45117251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).