5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole

C20H23FN2S — CID 149026615

IUPAC5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole
SMILESCN1CCC(N2CCc3cc(Sc4ccc(F)cc4)ccc32)CC1
InChIInChI=1S/C20H23FN2S/c1-22-11-9-17(10-12-22)23-13-8-15-14-19(6-7-20(15)23)24-18-4-2-16(21)3-5-18/h2-7,14,17H,8-13H2,1H3
InChIKeyQENNHNMOFMJHCQ-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.43
Rot. Bonds3

About 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole

5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole (PubChem CID 149026615) has the molecular formula C20H23FN2S and a molecular weight of 342.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole
PubChem CID149026615
Molecular FormulaC20H23FN2S
Molecular Weight342.48 g/mol
Exact Mass342.16
IUPAC Name5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole
SMILESCN1CCC(N2CCc3cc(Sc4ccc(F)cc4)ccc32)CC1
InChIInChI=1S/C20H23FN2S/c1-22-11-9-17(10-12-22)23-13-8-15-14-19(6-7-20(15)23)24-18-4-2-16(21)3-5-18/h2-7,14,17H,8-13H2,1H3
InChIKeyQENNHNMOFMJHCQ-UHFFFAOYSA-N
XLogP4.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole 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 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole (CID 149026615) is 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole is CN1CCC(N2CCc3cc(Sc4ccc(F)cc4)ccc32)CC1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole?
The InChIKey is QENNHNMOFMJHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2S/c1-22-11-9-17(10-12-22)23-13-8-15-14-19(6-7-20(15)23)24-18-4-2-16(21)3-5-18/h2-7,14,17H,8-13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole?
5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole has a molecular weight of 342.48 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 149026615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).