1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid

C12H18N4O3 — CID 61461167

IUPAC1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCn2cccn2)C1
InChIInChI=1S/C12H18N4O3/c17-11(18)10-3-1-6-15(9-10)12(19)13-5-8-16-7-2-4-14-16/h2,4,7,10H,1,3,5-6,8-9H2,(H,13,19)(H,17,18)
InChIKeyZRNWQANFDXUJHW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.39
Rot. Bonds4

About 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid

1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 61461167) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID61461167
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCn2cccn2)C1
InChIInChI=1S/C12H18N4O3/c17-11(18)10-3-1-6-15(9-10)12(19)13-5-8-16-7-2-4-14-16/h2,4,7,10H,1,3,5-6,8-9H2,(H,13,19)(H,17,18)
InChIKeyZRNWQANFDXUJHW-UHFFFAOYSA-N
XLogP0.39
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61408074
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 114111695
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid (CID 61461167) is 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCCn2cccn2)C1.
What is the InChIKey of 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is ZRNWQANFDXUJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(18)10-3-1-6-15(9-10)12(19)13-5-8-16-7-2-4-14-16/h2,4,7,10H,1,3,5-6,8-9H2,(H,13,19)(H,17,18).
What are the key properties of 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid?
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 61461167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).