3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione

C16H21N3O3 — CID 2849920

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(CCO)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H21N3O3/c20-11-10-17-6-8-18(9-7-17)14-12-15(21)19(16(14)22)13-4-2-1-3-5-13/h1-5,14,20H,6-12H2
InChIKeyRTGLRWQIONSFIL-UHFFFAOYSA-N
MW303.36 g/mol
LogP-0.07
Rot. Bonds4

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

3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 2849920) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID2849920
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(CCO)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H21N3O3/c20-11-10-17-6-8-18(9-7-17)14-12-15(21)19(16(14)22)13-4-2-1-3-5-13/h1-5,14,20H,6-12H2
InChIKeyRTGLRWQIONSFIL-UHFFFAOYSA-N
XLogP-0.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51859574
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826730
(3S)-1-(4-methoxyphenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 98345869
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3S)-3-(4-methylpiperazin-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 1078963
4-[(3R)-3-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 51637766
(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 1023406
(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 698856
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (CID 2849920) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione is O=C1CC(N2CCN(CCO)CC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is RTGLRWQIONSFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-11-10-17-6-8-18(9-7-17)14-12-15(21)19(16(14)22)13-4-2-1-3-5-13/h1-5,14,20H,6-12H2.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 303.36 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2849920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).