3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one

C11H16N4O2 — CID 63362374

IUPAC3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cn1cccn1
InChIInChI=1S/C11H16N4O2/c1-11(2)10(17)12-5-7-15(11)9(16)8-14-6-3-4-13-14/h3-4,6H,5,7-8H2,1-2H3,(H,12,17)
InChIKeyGSXRNMDLPOMWDO-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.38
Rot. Bonds2

About 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one

3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one (PubChem CID 63362374) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one
PubChem CID63362374
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cn1cccn1
InChIInChI=1S/C11H16N4O2/c1-11(2)10(17)12-5-7-15(11)9(16)8-14-6-3-4-13-14/h3-4,6H,5,7-8H2,1-2H3,(H,12,17)
InChIKeyGSXRNMDLPOMWDO-UHFFFAOYSA-N
XLogP-0.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
3,3-dimethyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 63607225
4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63608438
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63607222
N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 63605846
4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one
CID 63362379
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
CID 63608228

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one (CID 63362374) is 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)Cn1cccn1.
What is the InChIKey of 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one?
The InChIKey is GSXRNMDLPOMWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2)10(17)12-5-7-15(11)9(16)8-14-6-3-4-13-14/h3-4,6H,5,7-8H2,1-2H3,(H,12,17).
What are the key properties of 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one?
3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one is sourced from PubChem (CID 63362374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).