1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid

C11H16N4O3 — CID 54982085

IUPAC1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C11H16N4O3/c16-10(17)9-2-1-3-15(7-9)11(18)12-4-8-5-13-14-6-8/h5-6,9H,1-4,7H2,(H,12,18)(H,13,14)(H,16,17)
InChIKeyHXGVBKXABNLRDF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.42
Rot. Bonds3

About 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid

1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 54982085) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID54982085
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C11H16N4O3/c16-10(17)9-2-1-3-15(7-9)11(18)12-4-8-5-13-14-6-8/h5-6,9H,1-4,7H2,(H,12,18)(H,13,14)(H,16,17)
InChIKeyHXGVBKXABNLRDF-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid (CID 54982085) is 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCc2cn[nH]c2)C1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is HXGVBKXABNLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(17)9-2-1-3-15(7-9)11(18)12-4-8-5-13-14-6-8/h5-6,9H,1-4,7H2,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.42, 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-3-carboxylic acid is sourced from PubChem (CID 54982085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).