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

C20H23N3O4 — CID 162504446

IUPAC4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)N1CC(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C20H23N3O4/c1-20(2,3)22-9-11(10-22)12-5-4-6-13-16(12)19(27)23(18(13)26)14-7-8-15(24)21-17(14)25/h4-6,11,14H,7-10H2,1-3H3,(H,21,24,25)
InChIKeyKPZGEQGBCCQNMX-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.29
Rot. Bonds2

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

4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 162504446) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID162504446
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)N1CC(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C20H23N3O4/c1-20(2,3)22-9-11(10-22)12-5-4-6-13-16(12)19(27)23(18(13)26)14-7-8-15(24)21-17(14)25/h4-6,11,14H,7-10H2,1-3H3,(H,21,24,25)
InChIKeyKPZGEQGBCCQNMX-UHFFFAOYSA-N
XLogP1.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829
4-tert-butyl-2-(2,7-dioxoazepan-3-yl)isoindole-1,3-dione
CID 138628553
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
4-(3,3-dimethylbut-1-enyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176736560
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
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

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 162504446) is 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(C)(C)N1CC(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is KPZGEQGBCCQNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-20(2,3)22-9-11(10-22)12-5-4-6-13-16(12)19(27)23(18(13)26)14-7-8-15(24)21-17(14)25/h4-6,11,14H,7-10H2,1-3H3,(H,21,24,25).
What are the key properties of 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 369.42 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 162504446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).