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

C14H18N2O4 — CID 63616424

IUPAC2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCCOC1CCN(C(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c1-2-20-10-5-8-16(9-6-10)13(17)12-11(14(18)19)4-3-7-15-12/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyCGZYGFBBBHTLLV-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.42
Rot. Bonds4

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

2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 63616424) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID63616424
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCCOC1CCN(C(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c1-2-20-10-5-8-16(9-6-10)13(17)12-11(14(18)19)4-3-7-15-12/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyCGZYGFBBBHTLLV-UHFFFAOYSA-N
XLogP1.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
[2-(4-bromophenyl)sulfanyl-3-pyridinyl]-(4-ethoxypiperidin-1-yl)methanone
CID 55976720
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
(4-ethoxypiperidin-1-yl)-imidazo[1,2-a]pyridin-8-ylmethanone
CID 71880449
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 114543527
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
(4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104614674
(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid (CID 63616424) is 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid is CCOC1CCN(C(=O)c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is CGZYGFBBBHTLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-10-5-8-16(9-6-10)13(17)12-11(14(18)19)4-3-7-15-12/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid?
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63616424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).