1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone

C17H20N2O — CID 139937849

IUPAC1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone
SMILESCC(=O)C1C(C)NCCC1c1ccc2ccccc2n1
InChIInChI=1S/C17H20N2O/c1-11-17(12(2)20)14(9-10-18-11)16-8-7-13-5-3-4-6-15(13)19-16/h3-8,11,14,17-18H,9-10H2,1-2H3
InChIKeyOMOVHMTVZPPJNU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds2

About 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone

1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone (PubChem CID 139937849) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone
PubChem CID139937849
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone
SMILESCC(=O)C1C(C)NCCC1c1ccc2ccccc2n1
InChIInChI=1S/C17H20N2O/c1-11-17(12(2)20)14(9-10-18-11)16-8-7-13-5-3-4-6-15(13)19-16/h3-8,11,14,17-18H,9-10H2,1-2H3
InChIKeyOMOVHMTVZPPJNU-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone (CID 139937849) is 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone is CC(=O)C1C(C)NCCC1c1ccc2ccccc2n1.
What is the InChIKey of 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone?
The InChIKey is OMOVHMTVZPPJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-17(12(2)20)14(9-10-18-11)16-8-7-13-5-3-4-6-15(13)19-16/h3-8,11,14,17-18H,9-10H2,1-2H3.
What are the key properties of 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone?
1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-quinolin-2-ylpiperidin-3-yl)ethanone is sourced from PubChem (CID 139937849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).