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

C23H26FN3O2 — CID 11596369

IUPAC3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C23H26FN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
InChIKeyQRZZRWQKVCHMJC-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]-5-fluoro-1H-indole

3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole (PubChem CID 11596369) 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]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
PubChem CID11596369
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]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C23H26FN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
InChIKeyQRZZRWQKVCHMJC-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]-5-fluoro-1H-indole?
The IUPAC name of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole (CID 11596369) is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1.
What is the InChIKey of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
The InChIKey is QRZZRWQKVCHMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2.
What are the key properties of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-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]-5-fluoro-1H-indole is sourced from PubChem (CID 11596369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).