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

C20H27N3O2 — CID 110559340

IUPAC1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2ccccc2)=C(N2CCN(CC)CC2)C1=O
InChIInChI=1S/C20H27N3O2/c1-3-5-11-23-19(24)17(16-9-7-6-8-10-16)18(20(23)25)22-14-12-21(4-2)13-15-22/h6-10H,3-5,11-15H2,1-2H3
InChIKeyVKVHXKZZPDNBJA-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.20
Rot. Bonds6

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

1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110559340) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110559340
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2ccccc2)=C(N2CCN(CC)CC2)C1=O
InChIInChI=1S/C20H27N3O2/c1-3-5-11-23-19(24)17(16-9-7-6-8-10-16)18(20(23)25)22-14-12-21(4-2)13-15-22/h6-10H,3-5,11-15H2,1-2H3
InChIKeyVKVHXKZZPDNBJA-UHFFFAOYSA-N
XLogP2.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-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-(4-ethylpiperazin-1-yl)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559523
1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559262
3-(4-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-1-hexylpyrrole-2,5-dione
CID 110547019
1-hexyl-3-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110559978
3-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-1-pentylpyrrole-2,5-dione
CID 110548777
3-(4-ethylpiperazin-1-yl)-1-octyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577182
1-(3-butoxypropyl)-3-(4-ethylpiperazin-1-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577120
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560255
1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110560078
1-hexyl-3-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110572943
3-(4-ethylpiperazin-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-pentylpyrrole-2,5-dione
CID 110551150
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110558881

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione (CID 110559340) is 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione is CCCCN1C(=O)C(c2ccccc2)=C(N2CCN(CC)CC2)C1=O.
What is the InChIKey of 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is VKVHXKZZPDNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-5-11-23-19(24)17(16-9-7-6-8-10-16)18(20(23)25)22-14-12-21(4-2)13-15-22/h6-10H,3-5,11-15H2,1-2H3.
What are the key properties of 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione?
1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 341.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).