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

C14H19N3O3 — CID 43318489

IUPAC1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C14H19N3O3/c18-13(19)11-4-3-9-17(10-11)14(20)16-8-6-12-5-1-2-7-15-12/h1-2,5,7,11H,3-4,6,8-10H2,(H,16,20)(H,18,19)
InChIKeyOUQTXFZDUVAOSG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.13
Rot. Bonds4

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

1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 43318489) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID43318489
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C14H19N3O3/c18-13(19)11-4-3-9-17(10-11)14(20)16-8-6-12-5-1-2-7-15-12/h1-2,5,7,11H,3-4,6,8-10H2,(H,16,20)(H,18,19)
InChIKeyOUQTXFZDUVAOSG-UHFFFAOYSA-N
XLogP1.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
3-(methylsulfonylmethyl)-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 119072082
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid (CID 43318489) is 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCCc2ccccn2)C1.
What is the InChIKey of 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is OUQTXFZDUVAOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(19)11-4-3-9-17(10-11)14(20)16-8-6-12-5-1-2-7-15-12/h1-2,5,7,11H,3-4,6,8-10H2,(H,16,20)(H,18,19).
What are the key properties of 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid?
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43318489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).