2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone

C22H26FN3O2 — CID 22390830

IUPAC2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCCOc2ccc(F)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C22H26FN3O2/c23-19-6-8-20(9-7-19)28-17-3-11-24-13-15-25(16-14-24)22(27)26-12-10-18-4-1-2-5-21(18)26/h1-2,4-9H,3,10-17H2
InChIKeyGIOUOTIBLZSUAV-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.39
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone

2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone (PubChem CID 22390830) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
PubChem CID22390830
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCCOc2ccc(F)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C22H26FN3O2/c23-19-6-8-20(9-7-19)28-17-3-11-24-13-15-25(16-14-24)22(27)26-12-10-18-4-1-2-5-21(18)26/h1-2,4-9H,3,10-17H2
InChIKeyGIOUOTIBLZSUAV-UHFFFAOYSA-N
XLogP3.39
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 22390855
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
1-[2-(4-fluorophenoxy)ethyl]-2,3-dihydroindole
CID 82089229
3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10362298
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 9357373
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51924438
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone (CID 22390830) is 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone is O=C(N1CCN(CCCOc2ccc(F)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is GIOUOTIBLZSUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-19-6-8-20(9-7-19)28-17-3-11-24-13-15-25(16-14-24)22(27)26-12-10-18-4-1-2-5-21(18)26/h1-2,4-9H,3,10-17H2.
What are the key properties of 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone?
2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 22390830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).