(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione

C15H17Cl2N2O2+ — CID 6922502

IUPAC(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([NH+]2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O2/c16-11-5-4-10(8-12(11)17)19-14(20)9-13(15(19)21)18-6-2-1-3-7-18/h4-5,8,13H,1-3,6-7,9H2/p+1/t13-/m1/s1
InChIKeyMSABGHPZDQHMIX-CYBMUJFWSA-O
MW328.22 g/mol
LogP1.69
Rot. Bonds2

About (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione

(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione (PubChem CID 6922502) has the molecular formula C15H17Cl2N2O2+ and a molecular weight of 328.22 g/mol. Its IUPAC name is (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
PubChem CID6922502
Molecular FormulaC15H17Cl2N2O2+
Molecular Weight328.22 g/mol
Exact Mass327.07
IUPAC Name(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([NH+]2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O2/c16-11-5-4-10(8-12(11)17)19-14(20)9-13(15(19)21)18-6-2-1-3-7-18/h4-5,8,13H,1-3,6-7,9H2/p+1/t13-/m1/s1
InChIKeyMSABGHPZDQHMIX-CYBMUJFWSA-O
XLogP1.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-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

1-(3-chlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 4743399
1-(3,4-dichlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 4753360
(3R)-3-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione
CID 7126872
(3R)-3-(azocan-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 6960770
(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-oxopiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7331357
(3R)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 7376192
N-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl]acetamide
CID 6923629
(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6982522
(3R)-1-(3-chloro-4-fluorophenyl)-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7327280
(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6925308
(3S)-1-(4-chlorophenyl)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
CID 6979642
(3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6944442

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione (CID 6922502) is (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione is O=C1C[C@@H]([NH+]2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione?
The InChIKey is MSABGHPZDQHMIX-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H16Cl2N2O2/c16-11-5-4-10(8-12(11)17)19-14(20)9-13(15(19)21)18-6-2-1-3-7-18/h4-5,8,13H,1-3,6-7,9H2/p+1/t13-/m1/s1.
What are the key properties of (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione?
(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione has a molecular weight of 328.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 6922502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).