2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

C23H23ClN2O3 — CID 55493624

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H23ClN2O3/c24-19-11-15(12-21-23(19)29-10-9-28-21)13-22(27)26-7-5-16(6-8-26)18-14-25-20-4-2-1-3-17(18)20/h1-4,11-12,14,16,25H,5-10,13H2
InChIKeyQFNDTWHOFDJEPM-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.54
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 55493624) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID55493624
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H23ClN2O3/c24-19-11-15(12-21-23(19)29-10-9-28-21)13-22(27)26-7-5-16(6-8-26)18-14-25-20-4-2-1-3-17(18)20/h1-4,11-12,14,16,25H,5-10,13H2
InChIKeyQFNDTWHOFDJEPM-UHFFFAOYSA-N
XLogP4.54
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone 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 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone (CID 55493624) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone is O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is QFNDTWHOFDJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c24-19-11-15(12-21-23(19)29-10-9-28-21)13-22(27)26-7-5-16(6-8-26)18-14-25-20-4-2-1-3-17(18)20/h1-4,11-12,14,16,25H,5-10,13H2.
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 410.90 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55493624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).