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

C21H25N3O5 — CID 162504422

IUPAC4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)C1CN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCO1
InChIInChI=1S/C21H25N3O5/c1-21(2,3)15-11-23(9-10-29-15)13-6-4-5-12-17(13)20(28)24(19(12)27)14-7-8-16(25)22-18(14)26/h4-6,14-15H,7-11H2,1-3H3,(H,22,25,26)
InChIKeyUNTQKAVWRQNMLT-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.34
Rot. Bonds2

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

4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 162504422) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID162504422
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)C1CN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCO1
InChIInChI=1S/C21H25N3O5/c1-21(2,3)15-11-23(9-10-29-15)13-6-4-5-12-17(13)20(28)24(19(12)27)14-7-8-16(25)22-18(14)26/h4-6,14-15H,7-11H2,1-3H3,(H,22,25,26)
InChIKeyUNTQKAVWRQNMLT-UHFFFAOYSA-N
XLogP1.34
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

4-(3-tert-butylpyrrolidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162486083
2-(2,6-dioxopiperidin-3-yl)-4-(3-oxoazetidin-1-yl)isoindole-1,3-dione
CID 166143101
4-(4-deuteriopiperazin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175829262
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carboxylate
CID 135147127
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]acetaldehyde
CID 146599012
4-[3-(azidomethyl)azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171158469
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177190859
4-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428474
2-(2,6-dioxopiperidin-3-yl)-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 167431824
tert-butyl N-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]ethyl]carbamate
CID 170733148
4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 163944023

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 162504422) is 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(C)(C)C1CN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCO1.
What is the InChIKey of 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is UNTQKAVWRQNMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-21(2,3)15-11-23(9-10-29-15)13-6-4-5-12-17(13)20(28)24(19(12)27)14-7-8-16(25)22-18(14)26/h4-6,14-15H,7-11H2,1-3H3,(H,22,25,26).
What are the key properties of 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 399.45 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylmorpholin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 162504422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).