2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone

C15H22N2O3 — CID 124574816

IUPAC2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
SMILESCN[C@@H]1CCCN(C(=O)COc2cccc(OC)c2)C1
InChIInChI=1S/C15H22N2O3/c1-16-12-5-4-8-17(10-12)15(18)11-20-14-7-3-6-13(9-14)19-2/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyCBTOAKDWPHYCDF-GFCCVEGCSA-N
MW278.35 g/mol
LogP1.28
Rot. Bonds5

About 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone

2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone (PubChem CID 124574816) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
PubChem CID124574816
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
SMILESCN[C@@H]1CCCN(C(=O)COc2cccc(OC)c2)C1
InChIInChI=1S/C15H22N2O3/c1-16-12-5-4-8-17(10-12)15(18)11-20-14-7-3-6-13(9-14)19-2/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyCBTOAKDWPHYCDF-GFCCVEGCSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687485
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 155499186
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122257818
2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645154
2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575488
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122268059
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124575482
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
1-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 154920719

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone (CID 124574816) is 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone is CN[C@@H]1CCCN(C(=O)COc2cccc(OC)c2)C1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is CBTOAKDWPHYCDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-12-5-4-8-17(10-12)15(18)11-20-14-7-3-6-13(9-14)19-2/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 124574816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).