3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione

C21H29N3O5 — CID 45188300

IUPAC3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOCCN1CCN(C(=O)CC2(c3ccccc3OC)CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C21H29N3O5/c1-22-18(25)14-21(20(22)27,16-6-4-5-7-17(16)29-3)15-19(26)24-10-8-23(9-11-24)12-13-28-2/h4-7H,8-15H2,1-3H3
InChIKeyFUJOKWJHNLSCEQ-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.50
Rot. Bonds7

About 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione

3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 45188300) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID45188300
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOCCN1CCN(C(=O)CC2(c3ccccc3OC)CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C21H29N3O5/c1-22-18(25)14-21(20(22)27,16-6-4-5-7-17(16)29-3)15-19(26)24-10-8-23(9-11-24)12-13-28-2/h4-7H,8-15H2,1-3H3
InChIKeyFUJOKWJHNLSCEQ-UHFFFAOYSA-N
XLogP0.50
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(2-methoxyphenyl)-3-[2-[(3R)-3-methoxypiperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42377384
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-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 26333176
3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45206108
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45196529
3-(2-methoxyphenyl)-1-methyl-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45234214
(3S)-3-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462765
(3R)-3-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462732
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45187469
(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 26363699
3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45209718
(3S)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-[(3S)-3-phenylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42436297

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione (CID 45188300) is 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione is COCCN1CCN(C(=O)CC2(c3ccccc3OC)CC(=O)N(C)C2=O)CC1.
What is the InChIKey of 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is FUJOKWJHNLSCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-22-18(25)14-21(20(22)27,16-6-4-5-7-17(16)29-3)15-19(26)24-10-8-23(9-11-24)12-13-28-2/h4-7H,8-15H2,1-3H3.
What are the key properties of 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 403.48 g/mol, XLogP of 0.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 45188300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).