3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C22H19Cl2N5O3 — CID 146635951

IUPAC3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(OCc4cn(-c5ccc(Cl)c(Cl)c5)nn4)c3C2)C(=O)N1
InChIInChI=1S/C22H19Cl2N5O3/c23-17-5-4-15(8-18(17)24)29-10-14(26-27-29)12-32-20-3-1-2-13-9-28(11-16(13)20)19-6-7-21(30)25-22(19)31/h1-5,8,10,19H,6-7,9,11-12H2,(H,25,30,31)
InChIKeyOXLYTWKJDFNLFM-UHFFFAOYSA-N
MW472.33 g/mol
LogP3.27
Rot. Bonds5

About 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 146635951) has the molecular formula C22H19Cl2N5O3 and a molecular weight of 472.33 g/mol. Its IUPAC name is 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID146635951
Molecular FormulaC22H19Cl2N5O3
Molecular Weight472.33 g/mol
Exact Mass471.09
IUPAC Name3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(OCc4cn(-c5ccc(Cl)c(Cl)c5)nn4)c3C2)C(=O)N1
InChIInChI=1S/C22H19Cl2N5O3/c23-17-5-4-15(8-18(17)24)29-10-14(26-27-29)12-32-20-3-1-2-13-9-28(11-16(13)20)19-6-7-21(30)25-22(19)31/h1-5,8,10,19H,6-7,9,11-12H2,(H,25,30,31)
InChIKeyOXLYTWKJDFNLFM-UHFFFAOYSA-N
XLogP3.27
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162770984
3-[7-[[1-[4-(oxan-4-yloxy)phenyl]triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162770979
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337
3-[4-[[4-[(3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 134240435
3-[6-[4-[(1-methylpyrazol-4-yl)oxymethyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167828580
3-[3-oxo-7-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162770991
3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 123832326
3-[5-[4-(2,2-dimethylpropyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166418587
3-[7-[[1-(4,6-dimethyl-2-bicyclo[3.3.1]non-3-enyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166794861
3-[6-[4-(4-chloro-3-methoxyphenyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167791543
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
3-[6-[4-[(cyclobutylamino)methyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167837406

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 146635951) is 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(OCc4cn(-c5ccc(Cl)c(Cl)c5)nn4)c3C2)C(=O)N1.
What is the InChIKey of 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OXLYTWKJDFNLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O3/c23-17-5-4-15(8-18(17)24)29-10-14(26-27-29)12-32-20-3-1-2-13-9-28(11-16(13)20)19-6-7-21(30)25-22(19)31/h1-5,8,10,19H,6-7,9,11-12H2,(H,25,30,31).
What are the key properties of 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 472.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(3,4-dichlorophenyl)triazol-4-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146635951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).