(3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione

C23H28N4O3 — CID 7327223

IUPAC(3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCc4ccncc4)CC3)C2=O)cc1
InChIInChI=1S/C23H28N4O3/c1-2-30-20-5-3-19(4-6-20)27-22(28)17-21(23(27)29)26-15-13-25(14-16-26)12-9-18-7-10-24-11-8-18/h3-8,10-11,21H,2,9,12-17H2,1H3/t21-/m1/s1
InChIKeyVTWITHAEHKCHKC-OAQYLSRUSA-N
MW408.50 g/mol
LogP1.97
Rot. Bonds7

About (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 7327223) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID7327223
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCc4ccncc4)CC3)C2=O)cc1
InChIInChI=1S/C23H28N4O3/c1-2-30-20-5-3-19(4-6-20)27-22(28)17-21(23(27)29)26-15-13-25(14-16-26)12-9-18-7-10-24-11-8-18/h3-8,10-11,21H,2,9,12-17H2,1H3/t21-/m1/s1
InChIKeyVTWITHAEHKCHKC-OAQYLSRUSA-N
XLogP1.97
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

(3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7327225
1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2840525
(3S)-1-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 702410
3-(azepan-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 3139879
(3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 755238
(3R)-3-[4-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7986469
(3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2273431
1-(4-ethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2850421
(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1069795
(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1069796
1-(4-butoxyphenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2869017
(3S)-1-(4-methoxyphenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 98345869

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 7327223) is (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCc4ccncc4)CC3)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is VTWITHAEHKCHKC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-2-30-20-5-3-19(4-6-20)27-22(28)17-21(23(27)29)26-15-13-25(14-16-26)12-9-18-7-10-24-11-8-18/h3-8,10-11,21H,2,9,12-17H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 408.50 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7327223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).