3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one

C17H25NO4 — CID 150919430

IUPAC3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one
SMILESCOc1ccc(CC(=O)C(OC)N2CCCCC2)cc1OC
InChIInChI=1S/C17H25NO4/c1-20-15-8-7-13(12-16(15)21-2)11-14(19)17(22-3)18-9-5-4-6-10-18/h7-8,12,17H,4-6,9-11H2,1-3H3
InChIKeyLDSAEABCRONGLB-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.27
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one

3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one (PubChem CID 150919430) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one
PubChem CID150919430
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one
SMILESCOc1ccc(CC(=O)C(OC)N2CCCCC2)cc1OC
InChIInChI=1S/C17H25NO4/c1-20-15-8-7-13(12-16(15)21-2)11-14(19)17(22-3)18-9-5-4-6-10-18/h7-8,12,17H,4-6,9-11H2,1-3H3
InChIKeyLDSAEABCRONGLB-UHFFFAOYSA-N
XLogP2.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 110349084
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one
CID 61055069
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567
2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone
CID 110767571
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one (CID 150919430) is 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one is COc1ccc(CC(=O)C(OC)N2CCCCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one?
The InChIKey is LDSAEABCRONGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-20-15-8-7-13(12-16(15)21-2)11-14(19)17(22-3)18-9-5-4-6-10-18/h7-8,12,17H,4-6,9-11H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one?
3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one has a molecular weight of 307.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-methoxy-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 150919430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).