2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid

C15H22N2O3 — CID 22973373

IUPAC2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCN1CCC(CCc2cccn(CC(=O)O)c2=O)CC1
InChIInChI=1S/C15H22N2O3/c1-16-9-6-12(7-10-16)4-5-13-3-2-8-17(15(13)20)11-14(18)19/h2-3,8,12H,4-7,9-11H2,1H3,(H,18,19)
InChIKeyYQLQYSQOBNCASW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.21
Rot. Bonds5

About 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid

2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 22973373) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID22973373
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCN1CCC(CCc2cccn(CC(=O)O)c2=O)CC1
InChIInChI=1S/C15H22N2O3/c1-16-9-6-12(7-10-16)4-5-13-3-2-8-17(15(13)20)11-14(18)19/h2-3,8,12H,4-7,9-11H2,1H3,(H,18,19)
InChIKeyYQLQYSQOBNCASW-UHFFFAOYSA-N
XLogP1.21
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid (CID 22973373) is 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid is CN1CCC(CCc2cccn(CC(=O)O)c2=O)CC1.
What is the InChIKey of 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is YQLQYSQOBNCASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-9-6-12(7-10-16)4-5-13-3-2-8-17(15(13)20)11-14(18)19/h2-3,8,12H,4-7,9-11H2,1H3,(H,18,19).
What are the key properties of 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid?
2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 22973373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).