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

C17H22ClN2O3+ — CID 11909889

IUPAC(3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([NH+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3/c18-12-4-6-14(7-5-12)20-16(22)11-15(17(20)23)19-9-2-1-3-13(19)8-10-21/h4-7,13,15,21H,1-3,8-11H2/p+1/t13-,15-/m1/s1
InChIKeyHHBNQLAZVQFYEH-UKRRQHHQSA-O
MW337.83 g/mol
LogP0.79
Rot. Bonds4

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

(3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione (PubChem CID 11909889) has the molecular formula C17H22ClN2O3+ and a molecular weight of 337.83 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
PubChem CID11909889
Molecular FormulaC17H22ClN2O3+
Molecular Weight337.83 g/mol
Exact Mass337.13
IUPAC Name(3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([NH+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3/c18-12-4-6-14(7-5-12)20-16(22)11-15(17(20)23)19-9-2-1-3-13(19)8-10-21/h4-7,13,15,21H,1-3,8-11H2/p+1/t13-,15-/m1/s1
InChIKeyHHBNQLAZVQFYEH-UKRRQHHQSA-O
XLogP0.79
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-bromophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 11912738
(3R)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 11921554
(3S)-1-(4-chlorophenyl)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
CID 6979642
(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6925308
(3S)-1-(4-methylphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 11861218
(3R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7074122
1-(4-chlorophenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
CID 4200118
(3R)-1-(4-chlorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7465030
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylacetamide
CID 23830804
(3S)-1-(4-chlorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7326000
(3S)-1-(4-chlorophenyl)-3-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7358087
(3R)-3-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 11901535

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione (CID 11909889) is (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione is O=C1C[C@@H]([NH+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione?
The InChIKey is HHBNQLAZVQFYEH-UKRRQHHQSA-O. The full InChI is InChI=1S/C17H21ClN2O3/c18-12-4-6-14(7-5-12)20-16(22)11-15(17(20)23)19-9-2-1-3-13(19)8-10-21/h4-7,13,15,21H,1-3,8-11H2/p+1/t13-,15-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione has a molecular weight of 337.83 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11909889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).