1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid

C10H14N4O3 — CID 43540329

IUPAC1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C10H14N4O3/c15-9(16)7-1-3-14(4-2-7)10(17)13-8-5-11-12-6-8/h5-7H,1-4H2,(H,11,12)(H,13,17)(H,15,16)
InChIKeyLTIOXFVCYHUOFL-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.74
Rot. Bonds2

About 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid

1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 43540329) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID43540329
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C10H14N4O3/c15-9(16)7-1-3-14(4-2-7)10(17)13-8-5-11-12-6-8/h5-7H,1-4H2,(H,11,12)(H,13,17)(H,15,16)
InChIKeyLTIOXFVCYHUOFL-UHFFFAOYSA-N
XLogP0.74
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.74
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-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid (CID 43540329) is 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is LTIOXFVCYHUOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(16)7-1-3-14(4-2-7)10(17)13-8-5-11-12-6-8/h5-7H,1-4H2,(H,11,12)(H,13,17)(H,15,16).
What are the key properties of 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43540329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).