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

C17H25NO3 — CID 2865424

IUPAC2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(C)CC(C)C2)cc1OC
InChIInChI=1S/C17H25NO3/c1-12-7-13(2)11-18(10-12)17(19)9-14-5-6-15(20-3)16(8-14)21-4/h5-6,8,12-13H,7,9-11H2,1-4H3
InChIKeyCTMVUXMEAZTFBM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.75
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 2865424) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID2865424
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(C)CC(C)C2)cc1OC
InChIInChI=1S/C17H25NO3/c1-12-7-13(2)11-18(10-12)17(19)9-14-5-6-15(20-3)16(8-14)21-4/h5-6,8,12-13H,7,9-11H2,1-4H3
InChIKeyCTMVUXMEAZTFBM-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 2865424) is 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone is COc1ccc(CC(=O)N2CC(C)CC(C)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is CTMVUXMEAZTFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-7-13(2)11-18(10-12)17(19)9-14-5-6-15(20-3)16(8-14)21-4/h5-6,8,12-13H,7,9-11H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2865424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).