3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid

C15H22N2O3 — CID 82897350

IUPAC3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H22N2O3/c18-14-3-1-2-8-17(14)12-11-16-9-6-13(7-10-16)4-5-15(19)20/h1-3,8,13H,4-7,9-12H2,(H,19,20)
InChIKeyNFTWDBHQWGQGCJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.43
Rot. Bonds6

About 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid

3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid (PubChem CID 82897350) 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-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid
PubChem CID82897350
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H22N2O3/c18-14-3-1-2-8-17(14)12-11-16-9-6-13(7-10-16)4-5-15(19)20/h1-3,8,13H,4-7,9-12H2,(H,19,20)
InChIKeyNFTWDBHQWGQGCJ-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-(1-Methyl-6-oxo-1,6-dihydropyridine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120536651
3-[1-[(2E,4E)-hexa-2,4-dienoyl]piperidin-4-yl]propanoic acid
CID 55049223
1-[2-(2-Oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 61320199
3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62216446
3-[1-(1-Methyl-2-oxopyridine-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62218008
2-[1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid
CID 62689220
2-[1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidin-3-yl]acetic acid
CID 62689569
2-[1-(1-Methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62690241
3-(1-Hexa-2,4-dienoylpiperidin-4-yl)propanoic acid
CID 76207850
3-(1-But-2-enoylpiperidin-4-yl)propanoic acid
CID 76937512
2-(1-Hexa-2,4-dienoylpiperidin-3-yl)acetic acid
CID 76954221
1-[2-[3-(2-Hydroxyethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 78942294

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid (CID 82897350) is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid?
The InChIKey is NFTWDBHQWGQGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-3-1-2-8-17(14)12-11-16-9-6-13(7-10-16)4-5-15(19)20/h1-3,8,13H,4-7,9-12H2,(H,19,20).
What are the key properties of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]propanoic acid?
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-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-4-yl]propanoic acid is sourced from PubChem (CID 82897350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).