3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione

C17H23N3O4 — CID 43826730

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(O)ccc1N1C(=O)CC(N2CCN(CCO)CC2)C1=O
InChIInChI=1S/C17H23N3O4/c1-12-10-13(22)2-3-14(12)20-16(23)11-15(17(20)24)19-6-4-18(5-7-19)8-9-21/h2-3,10,15,21-22H,4-9,11H2,1H3
InChIKeyICQKYPYKWINVMX-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.06
Rot. Bonds4

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione

3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 43826730) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID43826730
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(O)ccc1N1C(=O)CC(N2CCN(CCO)CC2)C1=O
InChIInChI=1S/C17H23N3O4/c1-12-10-13(22)2-3-14(12)20-16(23)11-15(17(20)24)19-6-4-18(5-7-19)8-9-21/h2-3,10,15,21-22H,4-9,11H2,1H3
InChIKeyICQKYPYKWINVMX-UHFFFAOYSA-N
XLogP-0.06
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826728
3-(4-acetylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826729
(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51859574
(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7928119
(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 93235137
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920
1-(4-ethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 43844144
1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2840525
1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2832607
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2852672
1-[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2942972
(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 1041103

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione (CID 43826730) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione is Cc1cc(O)ccc1N1C(=O)CC(N2CCN(CCO)CC2)C1=O.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is ICQKYPYKWINVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-10-13(22)2-3-14(12)20-16(23)11-15(17(20)24)19-6-4-18(5-7-19)8-9-21/h2-3,10,15,21-22H,4-9,11H2,1H3.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 333.39 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43826730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).