6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione

C9H12N4O3 — CID 106409311

IUPAC6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCc1nc(CN2C(=O)CNC(=O)C2C)no1
InChIInChI=1S/C9H12N4O3/c1-5-9(15)10-3-8(14)13(5)4-7-11-6(2)16-12-7/h5H,3-4H2,1-2H3,(H,10,15)
InChIKeyDDMNJMZMQYZUNP-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.78
Rot. Bonds2

About 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione

6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 106409311) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID106409311
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCc1nc(CN2C(=O)CNC(=O)C2C)no1
InChIInChI=1S/C9H12N4O3/c1-5-9(15)10-3-8(14)13(5)4-7-11-6(2)16-12-7/h5H,3-4H2,1-2H3,(H,10,15)
InChIKeyDDMNJMZMQYZUNP-UHFFFAOYSA-N
XLogP-0.78
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409299
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 106409291
1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960175
3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409196
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one
CID 106402142
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
1-but-3-ynyl-6-methylpiperazine-2,5-dione
CID 64972448
3-butan-2-yl-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-2,5-dione
CID 106421974

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (CID 106409311) is 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is Cc1nc(CN2C(=O)CNC(=O)C2C)no1.
What is the InChIKey of 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is DDMNJMZMQYZUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5-9(15)10-3-8(14)13(5)4-7-11-6(2)16-12-7/h5H,3-4H2,1-2H3,(H,10,15).
What are the key properties of 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 224.22 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 106409311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).