2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone

C16H23NO3 — CID 4167532

IUPAC2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCCC2C)cc1OC
InChIInChI=1S/C16H23NO3/c1-12-6-4-5-9-17(12)16(18)11-13-7-8-14(19-2)15(10-13)20-3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyDLMGXQADUHSMHX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 4167532) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID4167532
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCCC2C)cc1OC
InChIInChI=1S/C16H23NO3/c1-12-6-4-5-9-17(12)16(18)11-13-7-8-14(19-2)15(10-13)20-3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyDLMGXQADUHSMHX-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 4048681
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16879258
3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071342
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110285916
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 70676957
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
2-(3,4-dimethoxyphenyl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 20895626
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 94041159

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone (CID 4167532) is 2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone is COc1ccc(CC(=O)N2CCCCC2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is DLMGXQADUHSMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-6-4-5-9-17(12)16(18)11-13-7-8-14(19-2)15(10-13)20-3/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.65, 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-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4167532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).