(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid

C12H13ClN2O3 — CID 81118358

IUPAC(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1
InChIInChI=1S/C12H13ClN2O3/c13-10-6-14-4-3-9(10)11(16)15-5-1-2-8(7-15)12(17)18/h3-4,6,8H,1-2,5,7H2,(H,17,18)/t8-/m1/s1
InChIKeyOKPZSTHMCKPIRS-MRVPVSSYSA-N
MW268.70 g/mol
LogP1.67
Rot. Bonds2

About (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81118358) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID81118358
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1
InChIInChI=1S/C12H13ClN2O3/c13-10-6-14-4-3-9(10)11(16)15-5-1-2-8(7-15)12(17)18/h3-4,6,8H,1-2,5,7H2,(H,17,18)/t8-/m1/s1
InChIKeyOKPZSTHMCKPIRS-MRVPVSSYSA-N
XLogP1.67
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chloropyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid
CID 118793030
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
(3S)-1-(2-chloro-4,5-dimethylbenzoyl)piperidine-3-carboxylic acid
CID 120514108
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid (CID 81118358) is (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1.
What is the InChIKey of (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is OKPZSTHMCKPIRS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-10-6-14-4-3-9(10)11(16)15-5-1-2-8(7-15)12(17)18/h3-4,6,8H,1-2,5,7H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 268.70 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81118358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).