(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

C19H26N2O3 — CID 6354366

IUPAC(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3CCO)C2=O)cc1
InChIInChI=1S/C19H26N2O3/c1-2-14-6-8-16(9-7-14)21-18(23)13-17(19(21)24)20-11-4-3-5-15(20)10-12-22/h6-9,15,17,22H,2-5,10-13H2,1H3/t15-,17+/m1/s1
InChIKeyULYWJOJGQJEMED-WBVHZDCISA-N
MW330.43 g/mol
LogP2.12
Rot. Bonds5

About (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 6354366) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID6354366
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3CCO)C2=O)cc1
InChIInChI=1S/C19H26N2O3/c1-2-14-6-8-16(9-7-14)21-18(23)13-17(19(21)24)20-11-4-3-5-15(20)10-12-22/h6-9,15,17,22H,2-5,10-13H2,1H3/t15-,17+/m1/s1
InChIKeyULYWJOJGQJEMED-WBVHZDCISA-N
XLogP2.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7376153
(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7353385
1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 17228705
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 4894678
(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 40771838
(3R)-1-(2,5-dimethylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124833973
1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 17324587
(3R)-1-(5-chloro-2-methylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124542459
(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 27520218
1-(4-ethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 43844144
1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid;hydrochloride
CID 163326031
1-[(3R)-1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 795385

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 6354366) is (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3CCO)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is ULYWJOJGQJEMED-WBVHZDCISA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-14-6-8-16(9-7-14)21-18(23)13-17(19(21)24)20-11-4-3-5-15(20)10-12-22/h6-9,15,17,22H,2-5,10-13H2,1H3/t15-,17+/m1/s1.
What are the key properties of (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 330.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6354366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).