2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide

C13H20N4O2 — CID 102564082

IUPAC2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide
SMILESCC1CCCC(C)N1C(=O)Cn1nccc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-9-4-3-5-10(2)17(9)12(18)8-16-11(13(14)19)6-7-15-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,19)
InChIKeyBKYKZPVBTCCNMA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.77
Rot. Bonds3

About 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide

2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 102564082) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID102564082
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide
SMILESCC1CCCC(C)N1C(=O)Cn1nccc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-9-4-3-5-10(2)17(9)12(18)8-16-11(13(14)19)6-7-15-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,19)
InChIKeyBKYKZPVBTCCNMA-UHFFFAOYSA-N
XLogP0.77
TPSA81.22 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide (CID 102564082) is 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide is CC1CCCC(C)N1C(=O)Cn1nccc1C(N)=O.
What is the InChIKey of 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is BKYKZPVBTCCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-4-3-5-10(2)17(9)12(18)8-16-11(13(14)19)6-7-15-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,19).
What are the key properties of 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide?
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 102564082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).