3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid

C19H24N2O3 — CID 56746420

IUPAC3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C19H24N2O3/c1-14-12-17(20-16-7-4-3-6-15(14)16)21-10-5-8-19(13-21,18(22)23)9-11-24-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,22,23)
InChIKeyLBRNVBDBMHIUNM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.25
Rot. Bonds5

About 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid (PubChem CID 56746420) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid
PubChem CID56746420
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C19H24N2O3/c1-14-12-17(20-16-7-4-3-6-15(14)16)21-10-5-8-19(13-21,18(22)23)9-11-24-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,22,23)
InChIKeyLBRNVBDBMHIUNM-UHFFFAOYSA-N
XLogP3.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid (CID 56746420) is 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(c2cc(C)c3ccccc3n2)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is LBRNVBDBMHIUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-12-17(20-16-7-4-3-6-15(14)16)21-10-5-8-19(13-21,18(22)23)9-11-24-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 56746420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).