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

C19H24N2O4 — CID 7353385

IUPAC(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2C(=O)C[C@H](N3CCCC[C@H]3CCO)C2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-13(23)14-5-7-16(8-6-14)21-18(24)12-17(19(21)25)20-10-3-2-4-15(20)9-11-22/h5-8,15,17,22H,2-4,9-12H2,1H3/t15-,17-/m0/s1
InChIKeyFVRYAWROGSPNSE-RDJZCZTQSA-N
MW344.41 g/mol
LogP1.76
Rot. Bonds5

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

(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 7353385) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID7353385
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2C(=O)C[C@H](N3CCCC[C@H]3CCO)C2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-13(23)14-5-7-16(8-6-14)21-18(24)12-17(19(21)25)20-10-3-2-4-15(20)9-11-22/h5-8,15,17,22H,2-4,9-12H2,1H3/t15-,17-/m0/s1
InChIKeyFVRYAWROGSPNSE-RDJZCZTQSA-N
XLogP1.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.76
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

(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 6354366
(3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7376153
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 4894678
1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 17228705
(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
5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
CID 43861105
ethyl (3R)-1-[(3S)-1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 124833282
ethyl (3S)-1-[(3R)-1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 27520271

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 7353385) is (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is CC(=O)c1ccc(N2C(=O)C[C@H](N3CCCC[C@H]3CCO)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is FVRYAWROGSPNSE-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(23)14-5-7-16(8-6-14)21-18(24)12-17(19(21)25)20-10-3-2-4-15(20)9-11-22/h5-8,15,17,22H,2-4,9-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 344.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7353385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).