6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione

C14H22N4O2 — CID 103016986

IUPAC6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NCC(=O)N1CCc1cnn(C)c1
InChIInChI=1S/C14H22N4O2/c1-4-14(5-2)13(20)15-9-12(19)18(14)7-6-11-8-16-17(3)10-11/h8,10H,4-7,9H2,1-3H3,(H,15,20)
InChIKeyLIIVYVCCFYCAFH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds5

About 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione

6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 103016986) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione
PubChem CID103016986
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NCC(=O)N1CCc1cnn(C)c1
InChIInChI=1S/C14H22N4O2/c1-4-14(5-2)13(20)15-9-12(19)18(14)7-6-11-8-16-17(3)10-11/h8,10H,4-7,9H2,1-3H3,(H,15,20)
InChIKeyLIIVYVCCFYCAFH-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione (CID 103016986) is 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione is CCC1(CC)C(=O)NCC(=O)N1CCc1cnn(C)c1.
What is the InChIKey of 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is LIIVYVCCFYCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-14(5-2)13(20)15-9-12(19)18(14)7-6-11-8-16-17(3)10-11/h8,10H,4-7,9H2,1-3H3,(H,15,20).
What are the key properties of 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione?
6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 103016986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).