3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C18H20N4O3 — CID 141313740

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(N2CCN(CCO)CC2)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N4O3/c23-10-9-21-5-7-22(8-6-21)16-15(17(24)20-18(16)25)13-11-19-14-4-2-1-3-12(13)14/h1-4,11,19,23H,5-10H2,(H,20,24,25)
InChIKeyOHGLJIZLGOUBKP-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.15
Rot. Bonds4

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 141313740) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID141313740
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(N2CCN(CCO)CC2)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N4O3/c23-10-9-21-5-7-22(8-6-21)16-15(17(24)20-18(16)25)13-11-19-14-4-2-1-3-12(13)14/h1-4,11,19,23H,5-10H2,(H,20,24,25)
InChIKeyOHGLJIZLGOUBKP-UHFFFAOYSA-N
XLogP0.15
TPSA88.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409658
acetic acid;3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
CID 24779745
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide
CID 22410598
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
3-[6-fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410486
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione
CID 11510801
3-[1-(3-hydroxypropyl)-5-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409210
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-piperidin-1-ylpropyl)indol-6-yl]acetamide
CID 22410654
3-[1-(2-aminoethyl)-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410386

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 141313740) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(N2CCN(CCO)CC2)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is OHGLJIZLGOUBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-10-9-21-5-7-22(8-6-21)16-15(17(24)20-18(16)25)13-11-19-14-4-2-1-3-12(13)14/h1-4,11,19,23H,5-10H2,(H,20,24,25).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 340.38 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 141313740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).