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

C14H22N4O2 — CID 64960512

IUPAC3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C14H22N4O2/c1-6-10-12(19)16-11(14(2,3)4)13(20)18(10)9-7-15-17(5)8-9/h7-8,10-11H,6H2,1-5H3,(H,16,19)
InChIKeyVUYXFUQOEYFLLN-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.08
Rot. Bonds2

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

3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione (PubChem CID 64960512) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
PubChem CID64960512
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C14H22N4O2/c1-6-10-12(19)16-11(14(2,3)4)13(20)18(10)9-7-15-17(5)8-9/h7-8,10-11H,6H2,1-5H3,(H,16,19)
InChIKeyVUYXFUQOEYFLLN-UHFFFAOYSA-N
XLogP1.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.08
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-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione (CID 64960512) is 3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione is CCC1C(=O)NC(C(C)(C)C)C(=O)N1c1cnn(C)c1.
What is the InChIKey of 3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione?
The InChIKey is VUYXFUQOEYFLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-6-10-12(19)16-11(14(2,3)4)13(20)18(10)9-7-15-17(5)8-9/h7-8,10-11H,6H2,1-5H3,(H,16,19).
What are the key properties of 3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione?
3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 64960512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).