2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C13H20N4O2 — CID 169113695

IUPAC2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(C2CCC(C)CN2C(=O)C(N)=O)n(C)n1
InChIInChI=1S/C13H20N4O2/c1-8-4-5-10(11-6-9(2)15-16(11)3)17(7-8)13(19)12(14)18/h6,8,10H,4-5,7H2,1-3H3,(H2,14,18)
InChIKeyZKUYXKJNJGHNCJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.51
Rot. Bonds1

About 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169113695) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169113695
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(C2CCC(C)CN2C(=O)C(N)=O)n(C)n1
InChIInChI=1S/C13H20N4O2/c1-8-4-5-10(11-6-9(2)15-16(11)3)17(7-8)13(19)12(14)18/h6,8,10H,4-5,7H2,1-3H3,(H2,14,18)
InChIKeyZKUYXKJNJGHNCJ-UHFFFAOYSA-N
XLogP0.51
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169113695) is 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(C2CCC(C)CN2C(=O)C(N)=O)n(C)n1.
What is the InChIKey of 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is ZKUYXKJNJGHNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-4-5-10(11-6-9(2)15-16(11)3)17(7-8)13(19)12(14)18/h6,8,10H,4-5,7H2,1-3H3,(H2,14,18).
What are the key properties of 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 264.33 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).