5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one

C20H24N2O5 — CID 128963558

IUPAC5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
SMILESCOc1ccc(C2CCCN2C(=O)COc2c[nH]c(C)cc2=O)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-13-9-17(23)19(11-21-13)27-12-20(24)22-8-4-5-16(22)15-7-6-14(25-2)10-18(15)26-3/h6-7,9-11,16H,4-5,8,12H2,1-3H3,(H,21,23)
InChIKeyOPVCFXJEPVUSAI-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.44
Rot. Bonds6

About 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one

5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one (PubChem CID 128963558) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
PubChem CID128963558
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
SMILESCOc1ccc(C2CCCN2C(=O)COc2c[nH]c(C)cc2=O)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-13-9-17(23)19(11-21-13)27-12-20(24)22-8-4-5-16(22)15-7-6-14(25-2)10-18(15)26-3/h6-7,9-11,16H,4-5,8,12H2,1-3H3,(H,21,23)
InChIKeyOPVCFXJEPVUSAI-UHFFFAOYSA-N
XLogP2.44
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 46636671
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
CID 26818280
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 42026214
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 55565941
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(2,5-dimethylpyrrol-1-yl)propan-1-one
CID 124879737
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 51255954
2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzaldehyde
CID 9009568
6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 126768105

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one (CID 128963558) is 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one is COc1ccc(C2CCCN2C(=O)COc2c[nH]c(C)cc2=O)c(OC)c1.
What is the InChIKey of 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The InChIKey is OPVCFXJEPVUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13-9-17(23)19(11-21-13)27-12-20(24)22-8-4-5-16(22)15-7-6-14(25-2)10-18(15)26-3/h6-7,9-11,16H,4-5,8,12H2,1-3H3,(H,21,23).
What are the key properties of 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one has a molecular weight of 372.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 128963558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).