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

C12H18N4O3 — CID 63126502

IUPAC4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C12H18N4O3/c1-2-12(10(17)18)3-5-16(6-4-12)11(19)15-9-7-13-14-8-9/h7-8H,2-6H2,1H3,(H,13,14)(H,15,19)(H,17,18)
InChIKeyWMJWEUOJIIYKFF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.52
Rot. Bonds3

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

4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63126502) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63126502
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C12H18N4O3/c1-2-12(10(17)18)3-5-16(6-4-12)11(19)15-9-7-13-14-8-9/h7-8H,2-6H2,1H3,(H,13,14)(H,15,19)(H,17,18)
InChIKeyWMJWEUOJIIYKFF-UHFFFAOYSA-N
XLogP1.52
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid (CID 63126502) is 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is WMJWEUOJIIYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-12(10(17)18)3-5-16(6-4-12)11(19)15-9-7-13-14-8-9/h7-8H,2-6H2,1H3,(H,13,14)(H,15,19)(H,17,18).
What are the key properties of 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).