(3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

C16H19Cl2N2O2+ — CID 6920958

IUPAC(3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
SMILESCC1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1
InChIInChI=1S/C16H18Cl2N2O2/c1-10-2-4-19(5-3-10)14-9-15(21)20(16(14)22)13-7-11(17)6-12(18)8-13/h6-8,10,14H,2-5,9H2,1H3/p+1/t14-/m1/s1
InChIKeyHDJWVMWGPJVYLB-CQSZACIVSA-O
MW342.25 g/mol
LogP1.94
Rot. Bonds2

About (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

(3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione (PubChem CID 6920958) has the molecular formula C16H19Cl2N2O2+ and a molecular weight of 342.25 g/mol. Its IUPAC name is (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
PubChem CID6920958
Molecular FormulaC16H19Cl2N2O2+
Molecular Weight342.25 g/mol
Exact Mass341.08
IUPAC Name(3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
SMILESCC1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1
InChIInChI=1S/C16H18Cl2N2O2/c1-10-2-4-19(5-3-10)14-9-15(21)20(16(14)22)13-7-11(17)6-12(18)8-13/h6-8,10,14H,2-5,9H2,1H3/p+1/t14-/m1/s1
InChIKeyHDJWVMWGPJVYLB-CQSZACIVSA-O
XLogP1.94
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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)-3-(4-methylpiperidin-1-ium-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 6922087
(3R)-1-(4-iodophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 6965629
(3R)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 6920576
(3S)-1-(4-chlorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7326000
(3S)-1-(4-ethoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 6937331
1-(3-chlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 4743399
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate
CID 2059464
(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-oxopiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7331357
3-(4-methylpiperidin-1-ium-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione
CID 4229549
(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6925308
(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6922502

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione (CID 6920958) is (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione is CC1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1.
What is the InChIKey of (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione?
The InChIKey is HDJWVMWGPJVYLB-CQSZACIVSA-O. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-10-2-4-19(5-3-10)14-9-15(21)20(16(14)22)13-7-11(17)6-12(18)8-13/h6-8,10,14H,2-5,9H2,1H3/p+1/t14-/m1/s1.
What are the key properties of (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione?
(3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione has a molecular weight of 342.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 6920958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).