1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one

C17H21NO5 — CID 613753

IUPAC1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
SMILESCOc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC
InChIInChI=1S/C17H21NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6,10-11H,5,7-9H2,1-3H3
InChIKeyWAGZSQGCUXDBOA-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.96
Rot. Bonds6

About 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one

1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one (PubChem CID 613753) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
PubChem CID613753
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
SMILESCOc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC
InChIInChI=1S/C17H21NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6,10-11H,5,7-9H2,1-3H3
InChIKeyWAGZSQGCUXDBOA-UHFFFAOYSA-N
XLogP1.96
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one (CID 613753) is 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one is COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC.
What is the InChIKey of 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The InChIKey is WAGZSQGCUXDBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6,10-11H,5,7-9H2,1-3H3.
What are the key properties of 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one has a molecular weight of 319.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 613753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).