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

C15H22N2O3 — CID 82896998

IUPAC3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C15H22N2O3/c18-14-5-1-2-9-17(14)11-10-16-8-3-4-13(12-16)6-7-15(19)20/h1-2,5,9,13H,3-4,6-8,10-12H2,(H,19,20)
InChIKeyZVFIWKRRBOQOIA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.43
Rot. Bonds6

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

3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid (PubChem CID 82896998) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid
PubChem CID82896998
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C15H22N2O3/c18-14-5-1-2-9-17(14)11-10-16-8-3-4-13(12-16)6-7-15(19)20/h1-2,5,9,13H,3-4,6-8,10-12H2,(H,19,20)
InChIKeyZVFIWKRRBOQOIA-UHFFFAOYSA-N
XLogP1.43
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.43
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
3-[1-(Prop-2-enoyl)piperidin-3-yl]propanoic acid
CID 61705934
3-[1-(1-Methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 61706705
3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 61708042
3-(1-But-2-enoylpiperidin-3-yl)propanoic acid
CID 76914119
3-(1-Hexa-2,4-dienoylpiperidin-3-yl)propanoic acid
CID 76914122
2-[1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidin-4-yl]acetic acid
CID 78979730
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid (CID 82896998) is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid?
The InChIKey is ZVFIWKRRBOQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-5-1-2-9-17(14)11-10-16-8-3-4-13(12-16)6-7-15(19)20/h1-2,5,9,13H,3-4,6-8,10-12H2,(H,19,20).
What are the key properties of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid?
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-3-yl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.43, 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]propanoic acid is sourced from PubChem (CID 82896998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).