(3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C23H24FN3O2 — CID 10023494

IUPAC(3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C1\OCc2cc(NCCN3CCC(F)CC3)ccc21
InChIInChI=1S/C23H24FN3O2/c24-16-7-10-27(11-8-16)12-9-25-17-5-6-18-15(13-17)14-29-22(18)21-19-3-1-2-4-20(19)26-23(21)28/h1-6,13,16,25H,7-12,14H2,(H,26,28)/b22-21+
InChIKeyABZVHUAHTFAXHB-QURGRASLSA-N
MW393.46 g/mol
LogP3.88
Rot. Bonds4

About (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

(3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 10023494) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID10023494
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C1\OCc2cc(NCCN3CCC(F)CC3)ccc21
InChIInChI=1S/C23H24FN3O2/c24-16-7-10-27(11-8-16)12-9-25-17-5-6-18-15(13-17)14-29-22(18)21-19-3-1-2-4-20(19)26-23(21)28/h1-6,13,16,25H,7-12,14H2,(H,26,28)/b22-21+
InChIKeyABZVHUAHTFAXHB-QURGRASLSA-N
XLogP3.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one 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 (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 10023494) is (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C1\OCc2cc(NCCN3CCC(F)CC3)ccc21.
What is the InChIKey of (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is ABZVHUAHTFAXHB-QURGRASLSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-16-7-10-27(11-8-16)12-9-25-17-5-6-18-15(13-17)14-29-22(18)21-19-3-1-2-4-20(19)26-23(21)28/h1-6,13,16,25H,7-12,14H2,(H,26,28)/b22-21+.
What are the key properties of (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
(3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 393.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[5-[2-(4-fluoropiperidin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 10023494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).