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

C24H29N3O2 — CID 11560215

IUPAC3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C24H29N3O2/c1-18-7-8-21-20(16-18)19(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)29-15-14-28-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3
InChIKeyLZFYLPRQFJAOOB-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.00
Rot. Bonds5

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

3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole (PubChem CID 11560215) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole
PubChem CID11560215
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C24H29N3O2/c1-18-7-8-21-20(16-18)19(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)29-15-14-28-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3
InChIKeyLZFYLPRQFJAOOB-UHFFFAOYSA-N
XLogP4.00
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.00
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-methyl-1H-indole?
The IUPAC name of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole (CID 11560215) is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole.
What is the SMILES notation for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole?
The canonical SMILES for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole is Cc1ccc2[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-methyl-1H-indole?
The InChIKey is LZFYLPRQFJAOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-7-8-21-20(16-18)19(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)29-15-14-28-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3.
What are the key properties of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole?
3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole has a molecular weight of 391.52 g/mol, XLogP of 4.00, 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-methyl-1H-indole is sourced from PubChem (CID 11560215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).