1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid

C18H17ClN2O3 — CID 120512590

IUPAC1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1
InChIInChI=1S/C18H17ClN2O3/c19-15-7-6-12(16-5-1-2-8-20-16)10-14(15)17(22)21-9-3-4-13(11-21)18(23)24/h1-2,5-8,10,13H,3-4,9,11H2,(H,23,24)
InChIKeyJDNQQIAXDQSJJA-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.34
Rot. Bonds3

About 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid

1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 120512590) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
PubChem CID120512590
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1
InChIInChI=1S/C18H17ClN2O3/c19-15-7-6-12(16-5-1-2-8-20-16)10-14(15)17(22)21-9-3-4-13(11-21)18(23)24/h1-2,5-8,10,13H,3-4,9,11H2,(H,23,24)
InChIKeyJDNQQIAXDQSJJA-UHFFFAOYSA-N
XLogP3.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-5-pyridin-2-ylbenzoyl)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

(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
(3S)-1-(2-chloro-4,5-dimethylbenzoyl)piperidine-3-carboxylic acid
CID 120514108
1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
CID 120512544
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid (CID 120512590) is 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1.
What is the InChIKey of 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is JDNQQIAXDQSJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-15-7-6-12(16-5-1-2-8-20-16)10-14(15)17(22)21-9-3-4-13(11-21)18(23)24/h1-2,5-8,10,13H,3-4,9,11H2,(H,23,24).
What are the key properties of 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid?
1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 344.80 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 120512590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).