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

C17H18N2O4 — CID 154670467

IUPAC4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N2O4/c1-2-3-5-10-6-4-7-11-14(10)17(23)19(16(11)22)12-8-9-13(20)18-15(12)21/h4,6-7,12H,2-3,5,8-9H2,1H3,(H,18,20,21)
InChIKeyJPJKAJFGHLVGKS-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.43
Rot. Bonds4

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

4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154670467) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID154670467
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N2O4/c1-2-3-5-10-6-4-7-11-14(10)17(23)19(16(11)22)12-8-9-13(20)18-15(12)21/h4,6-7,12H,2-3,5,8-9H2,1H3,(H,18,20,21)
InChIKeyJPJKAJFGHLVGKS-UHFFFAOYSA-N
XLogP1.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.43
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

2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
2-(2,6-dioxopiperidin-3-yl)-4-[11-(methylamino)undecyl]isoindole-1,3-dione
CID 167194550
2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 155449044
2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-(methylamino)ethoxy]propyl]isoindole-1,3-dione
CID 138694083
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-[3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292239
4-[2-[4-[(4-butylpiperazin-1-yl)methyl]phenyl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159758570
2-(2,6-dioxopiperidin-3-yl)-4-(4-pyrrolidin-3-ylbutyl)isoindole-1,3-dione
CID 134579763
tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate
CID 157246096
4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167723768
4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167471241

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154670467) is 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is JPJKAJFGHLVGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-3-5-10-6-4-7-11-14(10)17(23)19(16(11)22)12-8-9-13(20)18-15(12)21/h4,6-7,12H,2-3,5,8-9H2,1H3,(H,18,20,21).
What are the key properties of 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 314.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154670467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).