4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H28N4O5 — CID 167734134

IUPAC4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCC2(CCOCC2)N(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C23H28N4O5/c24-15-6-7-23(8-10-32-11-9-23)26(13-15)12-14-2-1-3-16-19(14)22(31)27(21(16)30)17-4-5-18(28)25-20(17)29/h1-3,15,17H,4-13,24H2,(H,25,28,29)
InChIKeyUUDCBOPATOLPRD-UHFFFAOYSA-N
MW440.50 g/mol
LogP0.56
Rot. Bonds3

About 4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167734134) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167734134
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCC2(CCOCC2)N(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C23H28N4O5/c24-15-6-7-23(8-10-32-11-9-23)26(13-15)12-14-2-1-3-16-19(14)22(31)27(21(16)30)17-4-5-18(28)25-20(17)29/h1-3,15,17H,4-13,24H2,(H,25,28,29)
InChIKeyUUDCBOPATOLPRD-UHFFFAOYSA-N
XLogP0.56
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714424
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
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-[(7,7-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717168
4-[(4-amino-3,5-dimethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728924
4-[[[4-(aminomethyl)oxan-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727552
4-[[3-(1-aminocyclopropyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727847
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(2-piperidin-4-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167718533
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716654

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 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) is 4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-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[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1CCC2(CCOCC2)N(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is UUDCBOPATOLPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c24-15-6-7-23(8-10-32-11-9-23)26(13-15)12-14-2-1-3-16-19(14)22(31)27(21(16)30)17-4-5-18(28)25-20(17)29/h1-3,15,17H,4-13,24H2,(H,25,28,29).
What are the key properties of 4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 440.50 g/mol, XLogP of 0.56, 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[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167734134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).