6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione

C11H16N4O3 — CID 114185263

IUPAC6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2ncon2)C1=O
InChIInChI=1S/C11H16N4O3/c1-3-4-8-11(17)15(7(2)10(16)13-8)5-9-12-6-18-14-9/h6-8H,3-5H2,1-2H3,(H,13,16)
InChIKeyHNFXSIQZRHCMPK-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.09
Rot. Bonds4

About 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione

6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione (PubChem CID 114185263) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
PubChem CID114185263
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2ncon2)C1=O
InChIInChI=1S/C11H16N4O3/c1-3-4-8-11(17)15(7(2)10(16)13-8)5-9-12-6-18-14-9/h6-8H,3-5H2,1-2H3,(H,13,16)
InChIKeyHNFXSIQZRHCMPK-UHFFFAOYSA-N
XLogP0.09
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 106409675
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409730
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64971031
3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 106409462
6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
CID 82870546
6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056389
1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873550
3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione
CID 106409392
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
1-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873353
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione (CID 114185263) is 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(Cc2ncon2)C1=O.
What is the InChIKey of 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is HNFXSIQZRHCMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-4-8-11(17)15(7(2)10(16)13-8)5-9-12-6-18-14-9/h6-8H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione?
6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 114185263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).