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

C16H23NO3 — CID 78762202

IUPAC1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C16H23NO3/c1-3-13-6-4-5-11-17(13)16(18)12-20-15-9-7-14(19-2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyPPTMTKUTSBTXKF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.87
Rot. Bonds5

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

1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone (PubChem CID 78762202) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
PubChem CID78762202
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C16H23NO3/c1-3-13-6-4-5-11-17(13)16(18)12-20-15-9-7-14(19-2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyPPTMTKUTSBTXKF-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 116636305
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
2-[4-(aminomethyl)phenoxy]-1-(2-ethylazepan-1-yl)ethanone
CID 104688680
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
1-[(2R)-2-ethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 95253981
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2376311
1-[(2R)-2-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 34949610
1-[(2R)-2-ethylpiperidin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7991216
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571
1-(2-ethylpiperidin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propane-1,3-dione
CID 108952190

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone (CID 78762202) is 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone is CCC1CCCCN1C(=O)COc1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The InChIKey is PPTMTKUTSBTXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-13-6-4-5-11-17(13)16(18)12-20-15-9-7-14(19-2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 78762202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).