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

C17H18N2O4 — CID 157474778

IUPAC5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N2O4/c1-2-3-4-10-5-6-11-12(9-10)17(23)19(16(11)22)13-7-8-14(20)18-15(13)21/h5-6,9,13H,2-4,7-8H2,1H3,(H,18,20,21)
InChIKeyYUFCTQSPMMPBJI-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.43
Rot. Bonds4

About 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 157474778) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID157474778
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N2O4/c1-2-3-4-10-5-6-11-12(9-10)17(23)19(16(11)22)13-7-8-14(20)18-15(13)21/h5-6,9,13H,2-4,7-8H2,1H3,(H,18,20,21)
InChIKeyYUFCTQSPMMPBJI-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

5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl methanesulfonate
CID 161284436
3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]propanoic acid
CID 146485046
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl(methylidene)-λ4-sulfanyl]methyl]isoindole-1,3-dione
CID 177161217
5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150115701
5-[3-[2-(2-azidoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171566813
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-4-methylpiperazine-1-carboxamide
CID 167810312
2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl 4-methylbenzenesulfonate
CID 171566923
2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione
CID 146411095
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,2-dimethylbut-3-ynamide
CID 166425439
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 157474778) is 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is YUFCTQSPMMPBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-3-4-10-5-6-11-12(9-10)17(23)19(16(11)22)13-7-8-14(20)18-15(13)21/h5-6,9,13H,2-4,7-8H2,1H3,(H,18,20,21).
What are the key properties of 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-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 5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 157474778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).