3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

C19H21N3O3S — CID 5296782

IUPAC3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccc3O)CC2)C(=O)N1Cc1cccs1
InChIInChI=1S/C19H21N3O3S/c23-17-6-2-1-5-15(17)20-7-9-21(10-8-20)16-12-18(24)22(19(16)25)13-14-4-3-11-26-14/h1-6,11,16,23H,7-10,12-13H2
InChIKeyNLZPLIKUUUNOAA-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.90
Rot. Bonds4

About 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 5296782) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID5296782
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccc3O)CC2)C(=O)N1Cc1cccs1
InChIInChI=1S/C19H21N3O3S/c23-17-6-2-1-5-15(17)20-7-9-21(10-8-20)16-12-18(24)22(19(16)25)13-14-4-3-11-26-14/h1-6,11,16,23H,7-10,12-13H2
InChIKeyNLZPLIKUUUNOAA-UHFFFAOYSA-N
XLogP1.90
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-4-[4-oxo-5-(2-thienylmethylene)-2-thioxo(1,3-thiazolidin-3-yl)]butanamide
CID 1584589
N-(2-Hydroxy-phenyl)-4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyramide
CID 1584588
3-[4-(4-Hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 2981304
2-[4-(Thiophen-2-ylmethyl)piperazin-1-yl]phenol
CID 72164181
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 24978654
N-(2-Hydroxy-phenyl)-3-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionamide
CID 1922332
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 25331871
N-(2-hydroxyphenyl)-1-[(2S)-1-thiophen-3-ylpropan-2-yl]piperidine-4-carboxamide
CID 97812849
3-[4-(2-Hydroxyphenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 3697012
(E)-N-(2-hydroxyphenyl)-2-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)acetamide
CID 1617996
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 16392440
1-[4-(2-Hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 33797873

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (CID 5296782) is 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccccc3O)CC2)C(=O)N1Cc1cccs1.
What is the InChIKey of 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is NLZPLIKUUUNOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17-6-2-1-5-15(17)20-7-9-21(10-8-20)16-12-18(24)22(19(16)25)13-14-4-3-11-26-14/h1-6,11,16,23H,7-10,12-13H2.
What are the key properties of 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 371.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 5296782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).