3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione

C13H20N4O2 — CID 64960560

IUPAC3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C13H20N4O2/c1-8-11(18)15-10(13(2,3)4)12(19)17(8)9-6-14-16(5)7-9/h6-8,10H,1-5H3,(H,15,18)
InChIKeyHIENIFCEQOKQMX-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds1

About 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione

3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione (PubChem CID 64960560) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
PubChem CID64960560
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C13H20N4O2/c1-8-11(18)15-10(13(2,3)4)12(19)17(8)9-6-14-16(5)7-9/h6-8,10H,1-5H3,(H,15,18)
InChIKeyHIENIFCEQOKQMX-UHFFFAOYSA-N
XLogP0.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione (CID 64960560) is 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1c1cnn(C)c1.
What is the InChIKey of 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione?
The InChIKey is HIENIFCEQOKQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-11(18)15-10(13(2,3)4)12(19)17(8)9-6-14-16(5)7-9/h6-8,10H,1-5H3,(H,15,18).
What are the key properties of 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 64960560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).