3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione

C13H20N4O2 — CID 82870547

IUPAC3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(Cc2ccn(C)n2)C1=O
InChIInChI=1S/C13H20N4O2/c1-5-10-11(18)17(13(2,3)12(19)14-10)8-9-6-7-16(4)15-9/h6-7,10H,5,8H2,1-4H3,(H,14,19)
InChIKeyLABOVQGEUVSEBJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.44
Rot. Bonds3

About 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione

3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 82870547) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID82870547
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(Cc2ccn(C)n2)C1=O
InChIInChI=1S/C13H20N4O2/c1-5-10-11(18)17(13(2,3)12(19)14-10)8-9-6-7-16(4)15-9/h6-7,10H,5,8H2,1-4H3,(H,14,19)
InChIKeyLABOVQGEUVSEBJ-UHFFFAOYSA-N
XLogP0.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 79260905
1-[(3-chloro-2-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 102862934
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64901859
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901097
6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871729
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 64901100
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816
3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64903586
6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871112
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 82872644
3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519279
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (CID 82870547) is 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(Cc2ccn(C)n2)C1=O.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is LABOVQGEUVSEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-5-10-11(18)17(13(2,3)12(19)14-10)8-9-6-7-16(4)15-9/h6-7,10H,5,8H2,1-4H3,(H,14,19).
What are the key properties of 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 82870547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).