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

C23H27N3O2 — CID 11588926

IUPAC3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole
SMILESc1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)OCCO2
InChIInChI=1S/C23H27N3O2/c1-2-7-20-19(6-1)18(17-24-20)5-4-10-25-11-13-26(14-12-25)21-8-3-9-22-23(21)28-16-15-27-22/h1-3,6-9,17,24H,4-5,10-16H2
InChIKeyZPTHFIRVKGBKMN-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.69
Rot. Bonds5

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

3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 11588926) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole
PubChem CID11588926
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole
SMILESc1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)OCCO2
InChIInChI=1S/C23H27N3O2/c1-2-7-20-19(6-1)18(17-24-20)5-4-10-25-11-13-26(14-12-25)21-8-3-9-22-23(21)28-16-15-27-22/h1-3,6-9,17,24H,4-5,10-16H2
InChIKeyZPTHFIRVKGBKMN-UHFFFAOYSA-N
XLogP3.69
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.69
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]-1H-indole?
The IUPAC name of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole (CID 11588926) is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole is c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)OCCO2.
What is the InChIKey of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is ZPTHFIRVKGBKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-7-20-19(6-1)18(17-24-20)5-4-10-25-11-13-26(14-12-25)21-8-3-9-22-23(21)28-16-15-27-22/h1-3,6-9,17,24H,4-5,10-16H2.
What are the key properties of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole?
3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 377.49 g/mol, XLogP of 3.69, 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]-1H-indole is sourced from PubChem (CID 11588926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).