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

C15H21NO3 — CID 4541588

IUPAC2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(OCC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C15H21NO3/c1-12-5-3-4-10-16(12)15(17)11-19-14-8-6-13(18-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyGERNUJCAOSPCNA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds4

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

2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 4541588) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID4541588
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(OCC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C15H21NO3/c1-12-5-3-4-10-16(12)15(17)11-19-14-8-6-13(18-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyGERNUJCAOSPCNA-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 94172220
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 116636305
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 78791464
2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 107675285
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678609
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 122195788
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 41105144
1-[2-(4-methoxyphenoxy)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134033114
1-[(2R)-2-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 34949610
2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99634908

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone (CID 4541588) is 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone is COc1ccc(OCC(=O)N2CCCCC2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is GERNUJCAOSPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-5-3-4-10-16(12)15(17)11-19-14-8-6-13(18-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4541588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).