2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone

C17H25NO2 — CID 43794292

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C17H25NO2/c1-12-5-6-15(17(8-12)20-4)16(19)11-18-9-13(2)7-14(3)10-18/h5-6,8,13-14H,7,9-11H2,1-4H3
InChIKeyZPPIXOKQOYHJCC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.16
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 43794292) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID43794292
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C17H25NO2/c1-12-5-6-15(17(8-12)20-4)16(19)11-18-9-13(2)7-14(3)10-18/h5-6,8,13-14H,7,9-11H2,1-4H3
InChIKeyZPPIXOKQOYHJCC-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 102960285
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(2-methoxy-4-methylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960506
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960703
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 82053182
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 7735516
1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634972
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 83219914
2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
CID 43794286
1-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62024881

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone (CID 43794292) is 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)CN1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is ZPPIXOKQOYHJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-5-6-15(17(8-12)20-4)16(19)11-18-9-13(2)7-14(3)10-18/h5-6,8,13-14H,7,9-11H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone?
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 43794292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).