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

C17H20Cl2N2O3 — CID 27520218

IUPAC(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H20Cl2N2O3/c18-11-4-5-13(19)14(9-11)21-16(23)10-15(17(21)24)20-7-2-1-3-12(20)6-8-22/h4-5,9,12,15,22H,1-3,6-8,10H2/t12-,15+/m0/s1
InChIKeyOFHJHRCTFAQVMW-SWLSCSKDSA-N
MW371.26 g/mol
LogP2.86
Rot. Bonds4

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

(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 27520218) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID27520218
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC Name(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H20Cl2N2O3/c18-11-4-5-13(19)14(9-11)21-16(23)10-15(17(21)24)20-7-2-1-3-12(20)6-8-22/h4-5,9,12,15,22H,1-3,6-8,10H2/t12-,15+/m0/s1
InChIKeyOFHJHRCTFAQVMW-SWLSCSKDSA-N
XLogP2.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.86
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

(3R)-1-(5-chloro-2-methylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124542459
1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 17324587
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
(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
(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 6354366
(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7353385
1-[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 17121345
2-(2,5-dichlorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929847
2-[1-(4-chloro-2-nitrophenyl)piperidin-2-yl]ethanol
CID 60677657

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 27520218) is (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl.
What is the InChIKey of (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is OFHJHRCTFAQVMW-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c18-11-4-5-13(19)14(9-11)21-16(23)10-15(17(21)24)20-7-2-1-3-12(20)6-8-22/h4-5,9,12,15,22H,1-3,6-8,10H2/t12-,15+/m0/s1.
What are the key properties of (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 371.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 27520218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).