2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone

C20H24N2O2 — CID 2097390

IUPAC2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O2/c1-16-11-13-22(14-12-16)20(23)15-24-19-9-7-18(8-10-19)21-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3
InChIKeyJQGSJBZLQLWADQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 2097390) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID2097390
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O2/c1-16-11-13-22(14-12-16)20(23)15-24-19-9-7-18(8-10-19)21-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3
InChIKeyJQGSJBZLQLWADQ-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 2097390) is 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COc2ccc(Nc3ccccc3)cc2)CC1.
What is the InChIKey of 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is JQGSJBZLQLWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-11-13-22(14-12-16)20(23)15-24-19-9-7-18(8-10-19)21-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3.
What are the key properties of 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2097390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).