3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C25H29N3O4 — CID 134240457

IUPAC3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(OCc4ccc(CN5CCOCC5)cc4)c3C2)C(=O)N1
InChIInChI=1S/C25H29N3O4/c29-24-9-8-22(25(30)26-24)28-15-20-2-1-3-23(21(20)16-28)32-17-19-6-4-18(5-7-19)14-27-10-12-31-13-11-27/h1-7,22H,8-17H2,(H,26,29,30)
InChIKeyQANUJVJMFPONSK-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.22
Rot. Bonds6

About 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 134240457) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID134240457
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(OCc4ccc(CN5CCOCC5)cc4)c3C2)C(=O)N1
InChIInChI=1S/C25H29N3O4/c29-24-9-8-22(25(30)26-24)28-15-20-2-1-3-23(21(20)16-28)32-17-19-6-4-18(5-7-19)14-27-10-12-31-13-11-27/h1-7,22H,8-17H2,(H,26,29,30)
InChIKeyQANUJVJMFPONSK-UHFFFAOYSA-N
XLogP2.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 134240457) is 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(OCc4ccc(CN5CCOCC5)cc4)c3C2)C(=O)N1.
What is the InChIKey of 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is QANUJVJMFPONSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c29-24-9-8-22(25(30)26-24)28-15-20-2-1-3-23(21(20)16-28)32-17-19-6-4-18(5-7-19)14-27-10-12-31-13-11-27/h1-7,22H,8-17H2,(H,26,29,30).
What are the key properties of 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 435.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 134240457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).