1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone

C24H28FN3O — CID 56642299

IUPAC1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(ccn2CCCCN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H28FN3O/c1-19(29)20-4-9-24-21(18-20)10-13-28(24)12-3-2-11-26-14-16-27(17-15-26)23-7-5-22(25)6-8-23/h4-10,13,18H,2-3,11-12,14-17H2,1H3
InChIKeyGLQQUGUBVVQXQF-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.59
Rot. Bonds7

About 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone

1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone (PubChem CID 56642299) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone
PubChem CID56642299
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(ccn2CCCCN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H28FN3O/c1-19(29)20-4-9-24-21(18-20)10-13-28(24)12-3-2-11-26-14-16-27(17-15-26)23-7-5-22(25)6-8-23/h4-10,13,18H,2-3,11-12,14-17H2,1H3
InChIKeyGLQQUGUBVVQXQF-UHFFFAOYSA-N
XLogP4.59
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone 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 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone?
The IUPAC name of 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone (CID 56642299) is 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone?
The canonical SMILES for 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone is CC(=O)c1ccc2c(ccn2CCCCN2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone?
The InChIKey is GLQQUGUBVVQXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-19(29)20-4-9-24-21(18-20)10-13-28(24)12-3-2-11-26-14-16-27(17-15-26)23-7-5-22(25)6-8-23/h4-10,13,18H,2-3,11-12,14-17H2,1H3.
What are the key properties of 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone?
1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone has a molecular weight of 393.51 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indol-5-yl]ethanone is sourced from PubChem (CID 56642299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).