3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one

C16H23NO3 — CID 11288928

IUPAC3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one
SMILESCCCN1CCCC(c2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C16H23NO3/c1-4-9-17-10-5-6-13(16(17)18)12-7-8-14(19-2)15(11-12)20-3/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyMOXXEXFJSJJNGB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.82
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one

3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one (PubChem CID 11288928) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one
PubChem CID11288928
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one
SMILESCCCN1CCCC(c2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C16H23NO3/c1-4-9-17-10-5-6-13(16(17)18)12-7-8-14(19-2)15(11-12)20-3/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyMOXXEXFJSJJNGB-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
CID 68686028
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-propylpyrrolidine-3-carboxamide
CID 113181947
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine
CID 18146777
3-(3,4-dimethoxyphenyl)-1-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]piperidine-2,4-dione
CID 18655775
1-benzyl-3-(3-methoxyphenyl)azepan-2-one
CID 20565337
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
3-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]propanenitrile
CID 94698512
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
(3R,7aS)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686322
1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione
CID 20967627
1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 134001152

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one (CID 11288928) is 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one is CCCN1CCCC(c2ccc(OC)c(OC)c2)C1=O.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one?
The InChIKey is MOXXEXFJSJJNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-9-17-10-5-6-13(16(17)18)12-7-8-14(19-2)15(11-12)20-3/h7-8,11,13H,4-6,9-10H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one?
3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one is sourced from PubChem (CID 11288928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).