4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid

C16H20N4O2 — CID 167865024

IUPAC4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCCc1nccn1C1CCCN(c2ccncc2C(=O)O)C1
InChIInChI=1S/C16H20N4O2/c1-2-15-18-7-9-20(15)12-4-3-8-19(11-12)14-5-6-17-10-13(14)16(21)22/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,21,22)
InChIKeyXFZZOZVIBMAICH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.38
Rot. Bonds4

About 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid

4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 167865024) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID167865024
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCCc1nccn1C1CCCN(c2ccncc2C(=O)O)C1
InChIInChI=1S/C16H20N4O2/c1-2-15-18-7-9-20(15)12-4-3-8-19(11-12)14-5-6-17-10-13(14)16(21)22/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,21,22)
InChIKeyXFZZOZVIBMAICH-UHFFFAOYSA-N
XLogP2.38
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470476
[4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]methanol
CID 136568930
4-acetyl-3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]benzonitrile
CID 133457766
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 124883297
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482995
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 167865024) is 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid is CCc1nccn1C1CCCN(c2ccncc2C(=O)O)C1.
What is the InChIKey of 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is XFZZOZVIBMAICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-15-18-7-9-20(15)12-4-3-8-19(11-12)14-5-6-17-10-13(14)16(21)22/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,21,22).
What are the key properties of 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 167865024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).