2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone

C20H24N2O2 — CID 3560036

IUPAC2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COc2ccc(Nc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-16-6-5-13-22(14-16)20(23)15-24-19-11-9-18(10-12-19)21-17-7-3-2-4-8-17/h2-4,7-12,16,21H,5-6,13-15H2,1H3
InChIKeyUDFYBFLQRIRSLV-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone

2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 3560036) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID3560036
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COc2ccc(Nc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-16-6-5-13-22(14-16)20(23)15-24-19-11-9-18(10-12-19)21-17-7-3-2-4-8-17/h2-4,7-12,16,21H,5-6,13-15H2,1H3
InChIKeyUDFYBFLQRIRSLV-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-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone (CID 3560036) is 2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)COc2ccc(Nc3ccccc3)cc2)C1.
What is the InChIKey of 2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is UDFYBFLQRIRSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-6-5-13-22(14-16)20(23)15-24-19-11-9-18(10-12-19)21-17-7-3-2-4-8-17/h2-4,7-12,16,21H,5-6,13-15H2,1H3.
What are the key properties of 2-(4-anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
2-(4-anilinophenoxy)-1-(3-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-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3560036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).