1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid

C11H16N4O3 — CID 54982275

IUPAC1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H16N4O3/c16-10(17)9-3-1-2-4-15(9)11(18)12-5-8-6-13-14-7-8/h6-7,9H,1-5H2,(H,12,18)(H,13,14)(H,16,17)
InChIKeyZIOBOADZVJEWCD-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.56
Rot. Bonds3

About 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid

1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 54982275) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID54982275
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H16N4O3/c16-10(17)9-3-1-2-4-15(9)11(18)12-5-8-6-13-14-7-8/h6-7,9H,1-5H2,(H,12,18)(H,13,14)(H,16,17)
InChIKeyZIOBOADZVJEWCD-UHFFFAOYSA-N
XLogP0.56
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylamino)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 169025295
2-(methylamino)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 169762420
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 54896946
(2S)-4-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 54982037
1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54982085
(2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid
CID 54982086
(2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 54982088
1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 54982130
(2S)-3,3-dimethyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982133
(2S)-3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 54982134
6-(1H-pyrazol-4-ylmethylcarbamoylamino)hexanoic acid
CID 54982180

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid (CID 54982275) is 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is ZIOBOADZVJEWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(17)9-3-1-2-4-15(9)11(18)12-5-8-6-13-14-7-8/h6-7,9H,1-5H2,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid?
1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 54982275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).