2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone

C20H22N2O3 — CID 2650111

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-20(15-16-6-7-18-19(14-16)25-13-12-24-18)22-10-8-21(9-11-22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2
InChIKeyKWEVDIYBVPDMKF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.35
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2650111) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2650111
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-20(15-16-6-7-18-19(14-16)25-13-12-24-18)22-10-8-21(9-11-22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2
InChIKeyKWEVDIYBVPDMKF-UHFFFAOYSA-N
XLogP2.35
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 2650111) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is KWEVDIYBVPDMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(15-16-6-7-18-19(14-16)25-13-12-24-18)22-10-8-21(9-11-22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2650111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).