3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione

C12H16N4O3 — CID 106409392

IUPAC3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1ncon1
InChIInChI=1S/C12H16N4O3/c1-7-10(17)14-12(2,8-3-4-8)11(18)16(7)5-9-13-6-19-15-9/h6-8H,3-5H2,1-2H3,(H,14,17)
InChIKeyVLIMCXIFAXLREL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.09
Rot. Bonds3

About 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione

3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione (PubChem CID 106409392) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione
PubChem CID106409392
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1ncon1
InChIInChI=1S/C12H16N4O3/c1-7-10(17)14-12(2,8-3-4-8)11(18)16(7)5-9-13-6-19-15-9/h6-8H,3-5H2,1-2H3,(H,14,17)
InChIKeyVLIMCXIFAXLREL-UHFFFAOYSA-N
XLogP0.09
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione (CID 106409392) is 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione is CC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1ncon1.
What is the InChIKey of 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is VLIMCXIFAXLREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7-10(17)14-12(2,8-3-4-8)11(18)16(7)5-9-13-6-19-15-9/h6-8H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione?
3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 264.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 106409392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).