1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione

C18H25N3O3 — CID 2866902

IUPAC1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCOc1cccc(N2C(=O)CC(N3CCN(CC)CC3)C2=O)c1
InChIInChI=1S/C18H25N3O3/c1-3-19-8-10-20(11-9-19)16-13-17(22)21(18(16)23)14-6-5-7-15(12-14)24-4-2/h5-7,12,16H,3-4,8-11,13H2,1-2H3
InChIKeyABYDEBLQHNBQNI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.35
Rot. Bonds5

About 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione

1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2866902) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2866902
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCOc1cccc(N2C(=O)CC(N3CCN(CC)CC3)C2=O)c1
InChIInChI=1S/C18H25N3O3/c1-3-19-8-10-20(11-9-19)16-13-17(22)21(18(16)23)14-6-5-7-15(12-14)24-4-2/h5-7,12,16H,3-4,8-11,13H2,1-2H3
InChIKeyABYDEBLQHNBQNI-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 702410
(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 17228704
3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2936653
(3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2273431
1-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884054
1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2840525
(3R)-3-(4-ethylpiperazin-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1091128
1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 3116096
3-(azepan-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 3139879
ethyl 4-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 7246428
4-[(3R)-3-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 51637766

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2866902) is 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione is CCOc1cccc(N2C(=O)CC(N3CCN(CC)CC3)C2=O)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is ABYDEBLQHNBQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-19-8-10-20(11-9-19)16-13-17(22)21(18(16)23)14-6-5-7-15(12-14)24-4-2/h5-7,12,16H,3-4,8-11,13H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 331.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2866902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).