4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C22H26N4O5 — CID 167716871

IUPAC4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2(CCCOC2)C1
InChIInChI=1S/C22H26N4O5/c23-14-9-22(7-2-8-31-12-22)25(11-14)10-13-3-1-4-15-18(13)21(30)26(20(15)29)16-5-6-17(27)24-19(16)28/h1,3-4,14,16H,2,5-12,23H2,(H,24,27,28)
InChIKeyUTRZVDYRNYZGTK-UHFFFAOYSA-N
MW426.47 g/mol
LogP0.17
Rot. Bonds3

About 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167716871) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167716871
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2(CCCOC2)C1
InChIInChI=1S/C22H26N4O5/c23-14-9-22(7-2-8-31-12-22)25(11-14)10-13-3-1-4-15-18(13)21(30)26(20(15)29)16-5-6-17(27)24-19(16)28/h1,3-4,14,16H,2,5-12,23H2,(H,24,27,28)
InChIKeyUTRZVDYRNYZGTK-UHFFFAOYSA-N
XLogP0.17
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

3-[7-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739232
4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734134
4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734542
2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione
CID 167731121
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
4-[(4-amino-3,5-dimethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728924
4-[(7,7-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717168
4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716654
4-[[3-(1-aminocyclopropyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727847
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-[[(1S,5S,6R)-6-amino-3-azabicyclo[3.2.2]nonan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728557
4-[[[(1R,3R)-3-aminocyclohexyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733853

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167716871) is 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2(CCCOC2)C1.
What is the InChIKey of 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is UTRZVDYRNYZGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c23-14-9-22(7-2-8-31-12-22)25(11-14)10-13-3-1-4-15-18(13)21(30)26(20(15)29)16-5-6-17(27)24-19(16)28/h1,3-4,14,16H,2,5-12,23H2,(H,24,27,28).
What are the key properties of 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 426.47 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167716871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).