1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone

C16H23NO3 — CID 102960703

IUPAC1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCCC(OC)C1
InChIInChI=1S/C16H23NO3/c1-12-6-7-14(16(9-12)20-3)15(18)11-17-8-4-5-13(10-17)19-2/h6-7,9,13H,4-5,8,10-11H2,1-3H3
InChIKeyVBJMRKKYQPWCDI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.30
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone

1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone (PubChem CID 102960703) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
PubChem CID102960703
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCCC(OC)C1
InChIInChI=1S/C16H23NO3/c1-12-6-7-14(16(9-12)20-3)15(18)11-17-8-4-5-13(10-17)19-2/h6-7,9,13H,4-5,8,10-11H2,1-3H3
InChIKeyVBJMRKKYQPWCDI-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960506
2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 102960285
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 113231238
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960713
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
1-(2,5-dibromothiophen-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960626
1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960675
1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634972

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone (CID 102960703) is 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone is COc1cc(C)ccc1C(=O)CN1CCCC(OC)C1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone?
The InChIKey is VBJMRKKYQPWCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-6-7-14(16(9-12)20-3)15(18)11-17-8-4-5-13(10-17)19-2/h6-7,9,13H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone?
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 102960703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).