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

C15H21NO2 — CID 668771

IUPAC2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H21NO2/c1-12-7-9-16(10-8-12)15(17)11-13-3-5-14(18-2)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyUMALHRVAPJKLNS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds3

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

2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 668771) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID668771
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H21NO2/c1-12-7-9-16(10-8-12)15(17)11-13-3-5-14(18-2)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyUMALHRVAPJKLNS-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide
CID 108932658
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 668771) is 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone is COc1ccc(CC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is UMALHRVAPJKLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-7-9-16(10-8-12)15(17)11-13-3-5-14(18-2)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 668771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).