4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C18H18N2O4 — CID 146547456

IUPAC4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(C4CCCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C18H18N2O4/c21-14-9-8-13(16(22)19-14)20-17(23)12-7-3-6-11(15(12)18(20)24)10-4-1-2-5-10/h3,6-7,10,13H,1-2,4-5,8-9H2,(H,19,21,22)
InChIKeySBGSOEBUYOTITN-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.75
Rot. Bonds2

About 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 146547456) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID146547456
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(C4CCCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C18H18N2O4/c21-14-9-8-13(16(22)19-14)20-17(23)12-7-3-6-11(15(12)18(20)24)10-4-1-2-5-10/h3,6-7,10,13H,1-2,4-5,8-9H2,(H,19,21,22)
InChIKeySBGSOEBUYOTITN-UHFFFAOYSA-N
XLogP1.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162504446
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
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-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-(cyclopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153358702
4-(cyclohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146870687
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
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 146547456) is 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(C4CCCC4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is SBGSOEBUYOTITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-14-9-8-13(16(22)19-14)20-17(23)12-7-3-6-11(15(12)18(20)24)10-4-1-2-5-10/h3,6-7,10,13H,1-2,4-5,8-9H2,(H,19,21,22).
What are the key properties of 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 326.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 146547456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).