4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C26H23N5O5 — CID 167797897

IUPAC4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(-n4cc(-c5ccc(OC6CCCC6)cc5)nn4)c3C2=O)C(=O)N1
InChIInChI=1S/C26H23N5O5/c32-22-13-12-21(24(33)27-22)31-25(34)18-6-3-7-20(23(18)26(31)35)30-14-19(28-29-30)15-8-10-17(11-9-15)36-16-4-1-2-5-16/h3,6-11,14,16,21H,1-2,4-5,12-13H2,(H,27,32,33)
InChIKeyIVDPQPVGTUCEKX-UHFFFAOYSA-N
MW485.50 g/mol
LogP2.66
Rot. Bonds5

About 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167797897) has the molecular formula C26H23N5O5 and a molecular weight of 485.50 g/mol. Its IUPAC name is 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167797897
Molecular FormulaC26H23N5O5
Molecular Weight485.50 g/mol
Exact Mass485.17
IUPAC Name4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(-n4cc(-c5ccc(OC6CCCC6)cc5)nn4)c3C2=O)C(=O)N1
InChIInChI=1S/C26H23N5O5/c32-22-13-12-21(24(33)27-22)31-25(34)18-6-3-7-20(23(18)26(31)35)30-14-19(28-29-30)15-8-10-17(11-9-15)36-16-4-1-2-5-16/h3,6-11,14,16,21H,1-2,4-5,12-13H2,(H,27,32,33)
InChIKeyIVDPQPVGTUCEKX-UHFFFAOYSA-N
XLogP2.66
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-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

5-[1-(3-chloro-2-fluorophenyl)triazol-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167954513
4-(cyclopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153358702
2-(2,6-dioxopiperidin-3-yl)-4-(3-oxoazetidin-1-yl)isoindole-1,3-dione
CID 166143101
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-(cyclohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146870687
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide
CID 164946917
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177190859
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167797897) is 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(-n4cc(-c5ccc(OC6CCCC6)cc5)nn4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is IVDPQPVGTUCEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5/c32-22-13-12-21(24(33)27-22)31-25(34)18-6-3-7-20(23(18)26(31)35)30-14-19(28-29-30)15-8-10-17(11-9-15)36-16-4-1-2-5-16/h3,6-11,14,16,21H,1-2,4-5,12-13H2,(H,27,32,33).
What are the key properties of 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 485.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclopentyloxyphenyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167797897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).