[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate

C19H22N2O3 — CID 5098988

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H22N2O3/c1-13-6-5-7-14(2)21(13)18(22)12-24-19(23)17-11-10-15-8-3-4-9-16(15)20-17/h3-4,8-11,13-14H,5-7,12H2,1-2H3
InChIKeyGZFGVPREFPXAQV-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.18
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 5098988) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID5098988
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H22N2O3/c1-13-6-5-7-14(2)21(13)18(22)12-24-19(23)17-11-10-15-8-3-4-9-16(15)20-17/h3-4,8-11,13-14H,5-7,12H2,1-2H3
InChIKeyGZFGVPREFPXAQV-UHFFFAOYSA-N
XLogP3.18
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate (CID 5098988) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate is CC1CCCC(C)N1C(=O)COC(=O)c1ccc2ccccc2n1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is GZFGVPREFPXAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-6-5-7-14(2)21(13)18(22)12-24-19(23)17-11-10-15-8-3-4-9-16(15)20-17/h3-4,8-11,13-14H,5-7,12H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 5098988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).