2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone

C16H23NO3 — CID 78765268

IUPAC2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H23NO3/c1-12-6-7-14(15(9-12)19-3)20-11-16(18)17-8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3
InChIKeyABRCGTVYKLBRHW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone

2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 78765268) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID78765268
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H23NO3/c1-12-6-7-14(15(9-12)19-3)20-11-16(18)17-8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3
InChIKeyABRCGTVYKLBRHW-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575488
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 124588581
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112975321
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 81197403
1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 45427087
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 124592670
2-(2-methoxy-4-methylphenoxy)-1-[(3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 92625239
2-(3,4-dimethoxyphenyl)sulfanyl-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 92646215
2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390761
2-(2-methoxy-4-methylphenoxy)-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124684857
N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide
CID 71968843

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone (CID 78765268) is 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone is COc1cc(C)ccc1OCC(=O)N1CCCC(C)C1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is ABRCGTVYKLBRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-6-7-14(15(9-12)19-3)20-11-16(18)17-8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone?
2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 78765268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).