2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione

C22H26N4O5 — CID 167719995

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCOCC45CCNCC5)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H26N4O5/c27-18-4-3-17(19(28)24-18)26-20(29)15-2-1-14(11-16(15)21(26)30)12-25-9-10-31-13-22(25)5-7-23-8-6-22/h1-2,11,17,23H,3-10,12-13H2,(H,24,27,28)
InChIKeyBARHUDIPEYLQIP-UHFFFAOYSA-N
MW426.47 g/mol
LogP0.04
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione (PubChem CID 167719995) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione
PubChem CID167719995
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCOCC45CCNCC5)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H26N4O5/c27-18-4-3-17(19(28)24-18)26-20(29)15-2-1-14(11-16(15)21(26)30)12-25-9-10-31-13-22(25)5-7-23-8-6-22/h1-2,11,17,23H,3-10,12-13H2,(H,24,27,28)
InChIKeyBARHUDIPEYLQIP-UHFFFAOYSA-N
XLogP0.04
TPSA108.05 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 ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167729558
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
5-[[(3aS,6aR)-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167730275
3-[7-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739192
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(piperazin-1-ylmethyl)azetidin-1-yl]methyl]isoindole-1,3-dione
CID 167730880
5-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740032
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperazin-1-ylazetidin-1-yl)methyl]isoindole-1,3-dione
CID 167720853
2-(2,6-dioxopiperidin-3-yl)-5-[(7-methyl-1,4-diazepan-1-yl)methyl]isoindole-1,3-dione
CID 167716655
2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione
CID 167720796
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
2-(2,6-dioxopiperidin-3-yl)-5-[[4-(2-piperazin-1-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167724738
3-[6-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735776

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione (CID 167719995) is 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CCOCC45CCNCC5)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione?
The InChIKey is BARHUDIPEYLQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c27-18-4-3-17(19(28)24-18)26-20(29)15-2-1-14(11-16(15)21(26)30)12-25-9-10-31-13-22(25)5-7-23-8-6-22/h1-2,11,17,23H,3-10,12-13H2,(H,24,27,28).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione has a molecular weight of 426.47 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 167719995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).