4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid

C16H18N2O3 — CID 70692442

IUPAC4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCCCC2)c2ccccn2c1=O
InChIInChI=1S/C16H18N2O3/c19-15-13(16(20)21)10-12(11-17-7-3-1-4-8-17)14-6-2-5-9-18(14)15/h2,5-6,9-10H,1,3-4,7-8,11H2,(H,20,21)
InChIKeyGVGMDAAALWVKHC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds3

About 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid

4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid (PubChem CID 70692442) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid
PubChem CID70692442
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCCCC2)c2ccccn2c1=O
InChIInChI=1S/C16H18N2O3/c19-15-13(16(20)21)10-12(11-17-7-3-1-4-8-17)14-6-2-5-9-18(14)15/h2,5-6,9-10H,1,3-4,7-8,11H2,(H,20,21)
InChIKeyGVGMDAAALWVKHC-UHFFFAOYSA-N
XLogP1.98
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid (CID 70692442) is 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid is O=C(O)c1cc(CN2CCCCC2)c2ccccn2c1=O.
What is the InChIKey of 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid?
The InChIKey is GVGMDAAALWVKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15-13(16(20)21)10-12(11-17-7-3-1-4-8-17)14-6-2-5-9-18(14)15/h2,5-6,9-10H,1,3-4,7-8,11H2,(H,20,21).
What are the key properties of 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid?
4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid is sourced from PubChem (CID 70692442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).