(2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate

C17H18N2O3 — CID 2454583

IUPAC(2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H18N2O3/c20-16(19-10-4-1-5-11-19)12-22-17(21)15-9-8-13-6-2-3-7-14(13)18-15/h2-3,6-9H,1,4-5,10-12H2
InChIKeyYXWISKHWHVRRAH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.40
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate

(2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate (PubChem CID 2454583) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
PubChem CID2454583
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H18N2O3/c20-16(19-10-4-1-5-11-19)12-22-17(21)15-9-8-13-6-2-3-7-14(13)18-15/h2-3,6-9H,1,4-5,10-12H2
InChIKeyYXWISKHWHVRRAH-UHFFFAOYSA-N
XLogP2.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate (CID 2454583) is (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate is O=C(OCC(=O)N1CCCCC1)c1ccc2ccccc2n1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate?
The InChIKey is YXWISKHWHVRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(19-10-4-1-5-11-19)12-22-17(21)15-9-8-13-6-2-3-7-14(13)18-15/h2-3,6-9H,1,4-5,10-12H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate is sourced from PubChem (CID 2454583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).