5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid

C13H20N4O4 — CID 146102865

IUPAC5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid
SMILESCON1CCC(CC(=O)Nc2cc(C(=O)O)nn2C)CC1
InChIInChI=1S/C13H20N4O4/c1-16-11(8-10(15-16)13(19)20)14-12(18)7-9-3-5-17(21-2)6-4-9/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyXEURGNGHRFWENZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.72
Rot. Bonds5

About 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid

5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid (PubChem CID 146102865) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid
PubChem CID146102865
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid
SMILESCON1CCC(CC(=O)Nc2cc(C(=O)O)nn2C)CC1
InChIInChI=1S/C13H20N4O4/c1-16-11(8-10(15-16)13(19)20)14-12(18)7-9-3-5-17(21-2)6-4-9/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyXEURGNGHRFWENZ-UHFFFAOYSA-N
XLogP0.72
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid (CID 146102865) is 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid is CON1CCC(CC(=O)Nc2cc(C(=O)O)nn2C)CC1.
What is the InChIKey of 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is XEURGNGHRFWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-16-11(8-10(15-16)13(19)20)14-12(18)7-9-3-5-17(21-2)6-4-9/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid?
5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 146102865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).