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

C11H16N4O2 — CID 64879083

IUPAC6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1cnn(C)c1
InChIInChI=1S/C11H16N4O2/c1-3-9-11(17)12-5-10(16)15(9)7-8-4-13-14(2)6-8/h4,6,9H,3,5,7H2,1-2H3,(H,12,17)
InChIKeyAKGAJCWGZPIXDX-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.34
Rot. Bonds3

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

6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione (PubChem CID 64879083) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
PubChem CID64879083
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1cnn(C)c1
InChIInChI=1S/C11H16N4O2/c1-3-9-11(17)12-5-10(16)15(9)7-8-4-13-14(2)6-8/h4,6,9H,3,5,7H2,1-2H3,(H,12,17)
InChIKeyAKGAJCWGZPIXDX-UHFFFAOYSA-N
XLogP-0.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 64970020
8-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887032
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964210
6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971193
6-propyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64879861
6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 64971596
5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 82507618
3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64873419
6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64878701
1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 64880051
6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645045
6-ethyl-1-(4-methoxybutyl)piperazine-2,5-dione
CID 64967343

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione (CID 64879083) is 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1Cc1cnn(C)c1.
What is the InChIKey of 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is AKGAJCWGZPIXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-9-11(17)12-5-10(16)15(9)7-8-4-13-14(2)6-8/h4,6,9H,3,5,7H2,1-2H3,(H,12,17).
What are the key properties of 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione?
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64879083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).