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

C18H27NO2 — CID 82053182

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone
SMILESCOc1c(C)cc(C)cc1C(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C18H27NO2/c1-12-7-15(4)18(21-5)16(8-12)17(20)11-19-9-13(2)6-14(3)10-19/h7-8,13-14H,6,9-11H2,1-5H3
InChIKeySEPHVHHIAGYCMV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.47
Rot. Bonds4

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

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone (PubChem CID 82053182) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone
PubChem CID82053182
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone
SMILESCOc1c(C)cc(C)cc1C(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C18H27NO2/c1-12-7-15(4)18(21-5)16(8-12)17(20)11-19-9-13(2)6-14(3)10-19/h7-8,13-14H,6,9-11H2,1-5H3
InChIKeySEPHVHHIAGYCMV-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 7735516
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
2-(3,5-dimethylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46800836
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854
1-(3,5-dimethylpiperidin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 3415680
2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
CID 43794286
4-[3-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 53355925
1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 121200226

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone (CID 82053182) is 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone is COc1c(C)cc(C)cc1C(=O)CN1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone?
The InChIKey is SEPHVHHIAGYCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-7-15(4)18(21-5)16(8-12)17(20)11-19-9-13(2)6-14(3)10-19/h7-8,13-14H,6,9-11H2,1-5H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone?
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.47, 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-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 82053182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).