(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione

C21H22N2O4 — CID 159163611

IUPAC(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
SMILESCN(C)CCOc1ccc2cc3occ([C@@H]4CCC(=O)NC4=O)c3cc2c1
InChIInChI=1S/C21H22N2O4/c1-23(2)7-8-26-15-4-3-13-11-19-17(10-14(13)9-15)18(12-27-19)16-5-6-20(24)22-21(16)25/h3-4,9-12,16H,5-8H2,1-2H3,(H,22,24,25)/t16-/m0/s1
InChIKeySKUNDSDKJXSNGE-INIZCTEOSA-N
MW366.42 g/mol
LogP3.05
Rot. Bonds5

About (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione

(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione (PubChem CID 159163611) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
PubChem CID159163611
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
SMILESCN(C)CCOc1ccc2cc3occ([C@@H]4CCC(=O)NC4=O)c3cc2c1
InChIInChI=1S/C21H22N2O4/c1-23(2)7-8-26-15-4-3-13-11-19-17(10-14(13)9-15)18(12-27-19)16-5-6-20(24)22-21(16)25/h3-4,9-12,16H,5-8H2,1-2H3,(H,22,24,25)/t16-/m0/s1
InChIKeySKUNDSDKJXSNGE-INIZCTEOSA-N
XLogP3.05
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-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 (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione (CID 159163611) is (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione is CN(C)CCOc1ccc2cc3occ([C@@H]4CCC(=O)NC4=O)c3cc2c1.
What is the InChIKey of (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The InChIKey is SKUNDSDKJXSNGE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-23(2)7-8-26-15-4-3-13-11-19-17(10-14(13)9-15)18(12-27-19)16-5-6-20(24)22-21(16)25/h3-4,9-12,16H,5-8H2,1-2H3,(H,22,24,25)/t16-/m0/s1.
What are the key properties of (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione has a molecular weight of 366.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 159163611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).