5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one

C22H26FN3O — CID 24854106

IUPAC5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26FN3O/c23-17-9-10-21-20(16-17)19(22(27)24-21)8-4-5-11-25-12-14-26(15-13-25)18-6-2-1-3-7-18/h1-3,6-7,9-10,16,19H,4-5,8,11-15H2,(H,24,27)
InChIKeyIBBIDLLHDNJIPV-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.85
Rot. Bonds6

About 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one

5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one (PubChem CID 24854106) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
PubChem CID24854106
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26FN3O/c23-17-9-10-21-20(16-17)19(22(27)24-21)8-4-5-11-25-12-14-26(15-13-25)18-6-2-1-3-7-18/h1-3,6-7,9-10,16,19H,4-5,8,11-15H2,(H,24,27)
InChIKeyIBBIDLLHDNJIPV-UHFFFAOYSA-N
XLogP3.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-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-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one (CID 24854106) is 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The InChIKey is IBBIDLLHDNJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-17-9-10-21-20(16-17)19(22(27)24-21)8-4-5-11-25-12-14-26(15-13-25)18-6-2-1-3-7-18/h1-3,6-7,9-10,16,19H,4-5,8,11-15H2,(H,24,27).
What are the key properties of 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 24854106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).