2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone

C16H24N2O3 — CID 124575488

IUPAC2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
SMILESCN[C@@H]1CCCN(C(=O)COc2ccc(C)cc2OC)C1
InChIInChI=1S/C16H24N2O3/c1-12-6-7-14(15(9-12)20-3)21-11-16(19)18-8-4-5-13(10-18)17-2/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyFIEDOWBRHPHYCU-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.59
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone

2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone (PubChem CID 124575488) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
PubChem CID124575488
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
SMILESCN[C@@H]1CCCN(C(=O)COc2ccc(C)cc2OC)C1
InChIInChI=1S/C16H24N2O3/c1-12-6-7-14(15(9-12)20-3)21-11-16(19)18-8-4-5-13(10-18)17-2/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyFIEDOWBRHPHYCU-CYBMUJFWSA-N
XLogP1.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 78765268
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119490153
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
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
CID 119488714
N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide
CID 71968843
2-(2,4-difluorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489358
2-(2-methoxy-4-methylphenoxy)-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124684857
1-[3-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119492518
1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 45427087
3-(2,4-dimethylphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575300
3-(2,5-dimethylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575112

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone (CID 124575488) is 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone is CN[C@@H]1CCCN(C(=O)COc2ccc(C)cc2OC)C1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is FIEDOWBRHPHYCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-6-7-14(15(9-12)20-3)21-11-16(19)18-8-4-5-13(10-18)17-2/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 124575488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).