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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Related Compounds

6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64881279
1-methyl-4-propylpyrazole;propane
CID 155742221
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
1-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 103014159
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871112
4-(2-isocyanoethyl)-1-methylpyrazole
CID 83478886
3-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-one
CID 80686659
5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 103002422
5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 103744967

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).