5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

C23H24N2OS — CID 138374863

IUPAC5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCC(c4cccc5sccc45)CC3)ccc2N1
InChIInChI=1S/C23H24N2OS/c26-23-15-18-14-16(4-5-21(18)24-23)6-10-25-11-7-17(8-12-25)19-2-1-3-22-20(19)9-13-27-22/h1-5,9,13-14,17H,6-8,10-12,15H2,(H,24,26)
InChIKeyJSLMTFYETLYWOJ-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.82
Rot. Bonds4

About 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 138374863) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID138374863
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCC(c4cccc5sccc45)CC3)ccc2N1
InChIInChI=1S/C23H24N2OS/c26-23-15-18-14-16(4-5-21(18)24-23)6-10-25-11-7-17(8-12-25)19-2-1-3-22-20(19)9-13-27-22/h1-5,9,13-14,17H,6-8,10-12,15H2,(H,24,26)
InChIKeyJSLMTFYETLYWOJ-UHFFFAOYSA-N
XLogP4.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-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 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 138374863) is 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCN3CCC(c4cccc5sccc45)CC3)ccc2N1.
What is the InChIKey of 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is JSLMTFYETLYWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c26-23-15-18-14-16(4-5-21(18)24-23)6-10-25-11-7-17(8-12-25)19-2-1-3-22-20(19)9-13-27-22/h1-5,9,13-14,17H,6-8,10-12,15H2,(H,24,26).
What are the key properties of 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 376.53 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 138374863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).