[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate

C19H22N2O3 — CID 3903794

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C19H22N2O3/c1-13-9-14(2)11-21(10-13)18(22)12-24-19(23)17-8-7-15-5-3-4-6-16(15)20-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyORZVLJFUOJPCLT-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.90
Rot. Bonds3

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 3903794) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID3903794
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C19H22N2O3/c1-13-9-14(2)11-21(10-13)18(22)12-24-19(23)17-8-7-15-5-3-4-6-16(15)20-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyORZVLJFUOJPCLT-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate (CID 3903794) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate is CC1CC(C)CN(C(=O)COC(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is ORZVLJFUOJPCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-14(2)11-21(10-13)18(22)12-24-19(23)17-8-7-15-5-3-4-6-16(15)20-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 3903794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).