4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

C14H18N2O3 — CID 112700662

IUPAC4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCCC1CCCN(C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C14H18N2O3/c1-2-10-4-3-7-16(9-10)13(17)11-5-6-15-12(8-11)14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyJECSFGWDFIOMLJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.04
Rot. Bonds3

About 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 112700662) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID112700662
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCCC1CCCN(C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C14H18N2O3/c1-2-10-4-3-7-16(9-10)13(17)11-5-6-15-12(8-11)14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyJECSFGWDFIOMLJ-UHFFFAOYSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547190
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183715
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
CID 103998035
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (CID 112700662) is 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is CCC1CCCN(C(=O)c2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is JECSFGWDFIOMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-10-4-3-7-16(9-10)13(17)11-5-6-15-12(8-11)14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19).
What are the key properties of 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 112700662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).