3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole

C23H26FN3O2 — CID 11718173

IUPAC3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole
SMILESFc1cccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c12
InChIInChI=1S/C23H26FN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
InChIKeyBWSYDGBUARPSLW-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.83
Rot. Bonds5

About 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole

3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole (PubChem CID 11718173) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole
PubChem CID11718173
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole
SMILESFc1cccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c12
InChIInChI=1S/C23H26FN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
InChIKeyBWSYDGBUARPSLW-UHFFFAOYSA-N
XLogP3.83
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole?
The IUPAC name of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole (CID 11718173) is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole.
What is the SMILES notation for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole?
The canonical SMILES for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole is Fc1cccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c12.
What is the InChIKey of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole?
The InChIKey is BWSYDGBUARPSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2.
What are the key properties of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole?
3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole has a molecular weight of 395.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-4-fluoro-1H-indole is sourced from PubChem (CID 11718173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).