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

C11H16N4O3 — CID 55176603

IUPAC4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C11H16N4O3/c1-11(9(16)17)2-4-15(5-3-11)10(18)14-8-6-12-13-7-8/h6-7H,2-5H2,1H3,(H,12,13)(H,14,18)(H,16,17)
InChIKeyVFIUNUXBOMLDTM-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.13
Rot. Bonds2

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

4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 55176603) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID55176603
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C11H16N4O3/c1-11(9(16)17)2-4-15(5-3-11)10(18)14-8-6-12-13-7-8/h6-7H,2-5H2,1H3,(H,12,13)(H,14,18)(H,16,17)
InChIKeyVFIUNUXBOMLDTM-UHFFFAOYSA-N
XLogP1.13
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid (CID 55176603) is 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is VFIUNUXBOMLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(9(16)17)2-4-15(5-3-11)10(18)14-8-6-12-13-7-8/h6-7H,2-5H2,1H3,(H,12,13)(H,14,18)(H,16,17).
What are the key properties of 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55176603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).