3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid

C16H24N2O3 — CID 82899262

IUPAC3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C16H24N2O3/c1-13(11-16(20)21)14-5-4-7-17(12-14)9-10-18-8-3-2-6-15(18)19/h2-3,6,8,13-14H,4-5,7,9-12H2,1H3,(H,20,21)
InChIKeyXFZYPSKGEMPDCE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.67
Rot. Bonds6

About 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid

3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid (PubChem CID 82899262) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid
PubChem CID82899262
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C16H24N2O3/c1-13(11-16(20)21)14-5-4-7-17(12-14)9-10-18-8-3-2-6-15(18)19/h2-3,6,8,13-14H,4-5,7,9-12H2,1H3,(H,20,21)
InChIKeyXFZYPSKGEMPDCE-UHFFFAOYSA-N
XLogP1.67
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 120247455
3-[(3S)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 124700194
3-[(3R)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 124701589
3-[1-(1-Methyl-6-oxo-1,6-dihydropyridine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120536651
5-[5-(4-Methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
CID 39151101
3-[1-(1-Methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 61706705
3-(1-But-2-enoylpiperidin-3-yl)propanoic acid
CID 76914119
3-(1-Hexa-2,4-dienoylpiperidin-3-yl)propanoic acid
CID 76914122
3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81042454
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
3-[1-[(4E)-hexa-2,4-dienoyl]piperidin-3-yl]butanoic acid
CID 81046699
3-[1-[2-(2-Oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid
CID 82896998

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid (CID 82899262) is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid?
The InChIKey is XFZYPSKGEMPDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(11-16(20)21)14-5-4-7-17(12-14)9-10-18-8-3-2-6-15(18)19/h2-3,6,8,13-14H,4-5,7,9-12H2,1H3,(H,20,21).
What are the key properties of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid?
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 82899262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).