3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H29N3O5 — CID 58389300

IUPAC3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4ccc(CCN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C26H29N3O5/c30-24-9-8-22(25(31)27-24)29-16-21-20(26(29)32)2-1-3-23(21)34-17-19-6-4-18(5-7-19)10-11-28-12-14-33-15-13-28/h1-7,22H,8-17H2,(H,27,30,31)
InChIKeyNAZVYHJDSYBQMH-UHFFFAOYSA-N
MW463.53 g/mol
LogP1.90
Rot. Bonds7

About 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 58389300) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID58389300
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4ccc(CCN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C26H29N3O5/c30-24-9-8-22(25(31)27-24)29-16-21-20(26(29)32)2-1-3-23(21)34-17-19-6-4-18(5-7-19)10-11-28-12-14-33-15-13-28/h1-7,22H,8-17H2,(H,27,30,31)
InChIKeyNAZVYHJDSYBQMH-UHFFFAOYSA-N
XLogP1.90
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-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-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 58389300) is 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4ccc(CCN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NAZVYHJDSYBQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c30-24-9-8-22(25(31)27-24)29-16-21-20(26(29)32)2-1-3-23(21)34-17-19-6-4-18(5-7-19)10-11-28-12-14-33-15-13-28/h1-7,22H,8-17H2,(H,27,30,31).
What are the key properties of 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 463.53 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 58389300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).