3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione

C23H32N4O4 — CID 110560193

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCN(CCO)CC2)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C23H32N4O4/c28-16-13-25-9-11-26(12-10-25)21-20(19-5-2-1-3-6-19)22(29)27(23(21)30)8-4-7-24-14-17-31-18-15-24/h1-3,5-6,28H,4,7-18H2
InChIKeyNSPUOUNYIQLMMZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP0.10
Rot. Bonds8

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione

3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110560193) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
PubChem CID110560193
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCN(CCO)CC2)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C23H32N4O4/c28-16-13-25-9-11-26(12-10-25)21-20(19-5-2-1-3-6-19)22(29)27(23(21)30)8-4-7-24-14-17-31-18-15-24/h1-3,5-6,28H,4,7-18H2
InChIKeyNSPUOUNYIQLMMZ-UHFFFAOYSA-N
XLogP0.10
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenylpyrrole-2,5-dione
CID 110559270
3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110544425
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560151
3-(3,5-dimethylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560153
3-morpholin-4-yl-1-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541886
3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(4-methylphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110571880
1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559340
3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547159
3-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110549525
1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559416
1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559521
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558554

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione (CID 110560193) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCN(CCO)CC2)C(=O)N1CCCN1CCOCC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is NSPUOUNYIQLMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c28-16-13-25-9-11-26(12-10-25)21-20(19-5-2-1-3-6-19)22(29)27(23(21)30)8-4-7-24-14-17-31-18-15-24/h1-3,5-6,28H,4,7-18H2.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 428.53 g/mol, XLogP of 0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).