3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione

C24H28N2O5S — CID 45206108

IUPAC3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccccc1C1(CC(=O)N2CCC(C(O)c3cccs3)CC2)CC(=O)N(C)C1=O
InChIInChI=1S/C24H28N2O5S/c1-25-20(27)14-24(23(25)30,17-6-3-4-7-18(17)31-2)15-21(28)26-11-9-16(10-12-26)22(29)19-8-5-13-32-19/h3-8,13,16,22,29H,9-12,14-15H2,1-2H3
InChIKeyRNOXHZMBXVSOJN-UHFFFAOYSA-N
MW456.56 g/mol
LogP2.75
Rot. Bonds6

About 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione

3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 45206108) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID45206108
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccccc1C1(CC(=O)N2CCC(C(O)c3cccs3)CC2)CC(=O)N(C)C1=O
InChIInChI=1S/C24H28N2O5S/c1-25-20(27)14-24(23(25)30,17-6-3-4-7-18(17)31-2)15-21(28)26-11-9-16(10-12-26)22(29)19-8-5-13-32-19/h3-8,13,16,22,29H,9-12,14-15H2,1-2H3
InChIKeyRNOXHZMBXVSOJN-UHFFFAOYSA-N
XLogP2.75
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione 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

3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45188300
(3S)-3-(2-methoxyphenyl)-3-[2-[(3R)-3-methoxypiperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42377384
(3S)-3-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462765
(3R)-3-[2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 26345829
(3R)-3-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462732
3-(2-methoxyphenyl)-1-methyl-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45234214
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45187469
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42192322
3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45209718
3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45183466
3-[2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45193809
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 42380968

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione (CID 45206108) is 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione is COc1ccccc1C1(CC(=O)N2CCC(C(O)c3cccs3)CC2)CC(=O)N(C)C1=O.
What is the InChIKey of 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is RNOXHZMBXVSOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-25-20(27)14-24(23(25)30,17-6-3-4-7-18(17)31-2)15-21(28)26-11-9-16(10-12-26)22(29)19-8-5-13-32-19/h3-8,13,16,22,29H,9-12,14-15H2,1-2H3.
What are the key properties of 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 456.56 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 45206108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).