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

C23H28N4O6 — CID 167724642

IUPAC4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNCC4COCC5(CCNCC5)O4)c3C2=O)C(=O)N1
InChIInChI=1S/C23H28N4O6/c28-18-5-4-17(20(29)26-18)27-21(30)16-3-1-2-14(19(16)22(27)31)10-25-11-15-12-32-13-23(33-15)6-8-24-9-7-23/h1-3,15,17,24-25H,4-13H2,(H,26,28,29)
InChIKeyPAQVEZWQWJJQEC-UHFFFAOYSA-N
MW456.50 g/mol
LogP-0.28
Rot. Bonds5

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

4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167724642) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167724642
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Name4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNCC4COCC5(CCNCC5)O4)c3C2=O)C(=O)N1
InChIInChI=1S/C23H28N4O6/c28-18-5-4-17(20(29)26-18)27-21(30)16-3-1-2-14(19(16)22(27)31)10-25-11-15-12-32-13-23(33-15)6-8-24-9-7-23/h1-3,15,17,24-25H,4-13H2,(H,26,28,29)
InChIKeyPAQVEZWQWJJQEC-UHFFFAOYSA-N
XLogP-0.28
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)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

3-[4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729057
4-[(3-azaspiro[5.5]undecan-9-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727973
4-[(2-azaspiro[4.5]decan-8-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167725877
4-[[(4-cyclobutylpiperidin-4-yl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740870
2-(2,6-dioxopiperidin-3-yl)-4-[[[(2R)-pyrrolidin-2-yl]methylamino]methyl]isoindole-1,3-dione
CID 167725576
2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(hydroxymethyl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
CID 167738667
2-(2,6-dioxopiperidin-3-yl)-4-[[(3-methylpiperidin-4-yl)methylamino]methyl]isoindole-1,3-dione
CID 167716781
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(4-hydroxypiperidin-4-yl)cyclopropyl]amino]methyl]isoindole-1,3-dione
CID 167741601
4-[(7,7-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717168
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-azabicyclo[5.1.0]octan-1-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721124
2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione
CID 167726934

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167724642) is 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CNCC4COCC5(CCNCC5)O4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is PAQVEZWQWJJQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c28-18-5-4-17(20(29)26-18)27-21(30)16-3-1-2-14(19(16)22(27)31)10-25-11-15-12-32-13-23(33-15)6-8-24-9-7-23/h1-3,15,17,24-25H,4-13H2,(H,26,28,29).
What are the key properties of 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 456.50 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167724642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).