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

C22H26FN3O2 — CID 22725322

IUPAC3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole
SMILESFc1ccc2c(c1)C(CCN1CCN(c3cccc4c3OCCO4)CC1)CN2
InChIInChI=1S/C22H26FN3O2/c23-17-4-5-19-18(14-17)16(15-24-19)6-7-25-8-10-26(11-9-25)20-2-1-3-21-22(20)28-13-12-27-21/h1-5,14,16,24H,6-13,15H2
InChIKeyYAWBAPAQBPHYTI-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.32
Rot. Bonds4

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

3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole (PubChem CID 22725322) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole
PubChem CID22725322
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole
SMILESFc1ccc2c(c1)C(CCN1CCN(c3cccc4c3OCCO4)CC1)CN2
InChIInChI=1S/C22H26FN3O2/c23-17-4-5-19-18(14-17)16(15-24-19)6-7-25-8-10-26(11-9-25)20-2-1-3-21-22(20)28-13-12-27-21/h1-5,14,16,24H,6-13,15H2
InChIKeyYAWBAPAQBPHYTI-UHFFFAOYSA-N
XLogP3.32
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole (CID 22725322) is 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole is Fc1ccc2c(c1)C(CCN1CCN(c3cccc4c3OCCO4)CC1)CN2.
What is the InChIKey of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole?
The InChIKey is YAWBAPAQBPHYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-17-4-5-19-18(14-17)16(15-24-19)6-7-25-8-10-26(11-9-25)20-2-1-3-21-22(20)28-13-12-27-21/h1-5,14,16,24H,6-13,15H2.
What are the key properties of 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole?
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole has a molecular weight of 383.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 22725322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).