3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one

C24H30FN3O — CID 24854187

IUPAC3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C24H30FN3O/c1-2-24(21-7-3-4-8-22(21)26-23(24)29)13-5-6-14-27-15-17-28(18-16-27)20-11-9-19(25)10-12-20/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,26,29)
InChIKeyKKWOYMMBRXQJHI-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.42
Rot. Bonds7

About 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one

3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one (PubChem CID 24854187) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one
PubChem CID24854187
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C24H30FN3O/c1-2-24(21-7-3-4-8-22(21)26-23(24)29)13-5-6-14-27-15-17-28(18-16-27)20-11-9-19(25)10-12-20/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,26,29)
InChIKeyKKWOYMMBRXQJHI-UHFFFAOYSA-N
XLogP4.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The IUPAC name of 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one (CID 24854187) is 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one.
What is the SMILES notation for 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The canonical SMILES for 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one is CCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The InChIKey is KKWOYMMBRXQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-2-24(21-7-3-4-8-22(21)26-23(24)29)13-5-6-14-27-15-17-28(18-16-27)20-11-9-19(25)10-12-20/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,26,29).
What are the key properties of 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one has a molecular weight of 395.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one is sourced from PubChem (CID 24854187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).