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

C24H29N3O3 — CID 11678072

IUPAC3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C24H29N3O3/c1-28-19-7-8-21-20(16-19)18(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)30-15-14-29-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3
InChIKeyKZQWOGYXIVRWJV-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.70
Rot. Bonds6

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

3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole (PubChem CID 11678072) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole
PubChem CID11678072
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C24H29N3O3/c1-28-19-7-8-21-20(16-19)18(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)30-15-14-29-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3
InChIKeyKZQWOGYXIVRWJV-UHFFFAOYSA-N
XLogP3.70
TPSA49.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methoxy-1H-indole?
The IUPAC name of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole (CID 11678072) is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole is COc1ccc2[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-methoxy-1H-indole?
The InChIKey is KZQWOGYXIVRWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-28-19-7-8-21-20(16-19)18(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)30-15-14-29-23/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-methoxy-1H-indole?
3-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-5-methoxy-1H-indole has a molecular weight of 407.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-methoxy-1H-indole is sourced from PubChem (CID 11678072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).