1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione

C23H25N3O2 — CID 110559262

IUPAC1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
SMILESCCN1CCN(C2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C23H25N3O2/c1-2-24-13-15-25(16-14-24)21-20(19-11-7-4-8-12-19)22(27)26(23(21)28)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKeyRHBWHEOEUZXTAY-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.60
Rot. Bonds5

About 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione

1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110559262) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110559262
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
SMILESCCN1CCN(C2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C23H25N3O2/c1-2-24-13-15-25(16-14-24)21-20(19-11-7-4-8-12-19)22(27)26(23(21)28)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKeyRHBWHEOEUZXTAY-UHFFFAOYSA-N
XLogP2.60
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558902
3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110544101
1-benzyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenylpyrrole-2,5-dione
CID 110559270
1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559340
1-benzyl-3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568058
3-(4-ethylpiperazin-1-yl)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559523
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110569428
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110569459
1-benzyl-3-(4-ethoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110546480
3-phenyl-4-(4-phenylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110559226
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110558881
3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572131

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione (CID 110559262) is 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione is CCN1CCN(C2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is RHBWHEOEUZXTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-24-13-15-25(16-14-24)21-20(19-11-7-4-8-12-19)22(27)26(23(21)28)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3.
What are the key properties of 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione?
1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 375.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).