5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one

C20H25N3O4 — CID 71701833

IUPAC5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one
SMILESCOc1cccc(N2CCN(C(=O)COc3cn(C)c(C)cc3=O)CC2)c1
InChIInChI=1S/C20H25N3O4/c1-15-11-18(24)19(13-21(15)2)27-14-20(25)23-9-7-22(8-10-23)16-5-4-6-17(12-16)26-3/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyNYZQNCNMMDZSQW-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.43
Rot. Bonds5

About 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one

5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one (PubChem CID 71701833) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one
PubChem CID71701833
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one
SMILESCOc1cccc(N2CCN(C(=O)COc3cn(C)c(C)cc3=O)CC2)c1
InChIInChI=1S/C20H25N3O4/c1-15-11-18(24)19(13-21(15)2)27-14-20(25)23-9-7-22(8-10-23)16-5-4-6-17(12-16)26-3/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyNYZQNCNMMDZSQW-UHFFFAOYSA-N
XLogP1.43
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 38573516
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 30795165
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 46469565
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 27041250
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one?
The IUPAC name of 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one (CID 71701833) is 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one?
The canonical SMILES for 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one is COc1cccc(N2CCN(C(=O)COc3cn(C)c(C)cc3=O)CC2)c1.
What is the InChIKey of 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one?
The InChIKey is NYZQNCNMMDZSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15-11-18(24)19(13-21(15)2)27-14-20(25)23-9-7-22(8-10-23)16-5-4-6-17(12-16)26-3/h4-6,11-13H,7-10,14H2,1-3H3.
What are the key properties of 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one?
5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one has a molecular weight of 371.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 71701833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).