N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

C21H25N3O4 — CID 2419564

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C21H25N3O4/c1-26-18-5-3-2-4-17(18)24-10-8-23(9-11-24)15-21(25)22-16-6-7-19-20(14-16)28-13-12-27-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)
InChIKeyFUAAWFFGYJOXMV-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.23
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2419564) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID2419564
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C21H25N3O4/c1-26-18-5-3-2-4-17(18)24-10-8-23(9-11-24)15-21(25)22-16-6-7-19-20(14-16)28-13-12-27-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)
InChIKeyFUAAWFFGYJOXMV-UHFFFAOYSA-N
XLogP2.23
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide 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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 2419564) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccccc1N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is FUAAWFFGYJOXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-26-18-5-3-2-4-17(18)24-10-8-23(9-11-24)15-21(25)22-16-6-7-19-20(14-16)28-13-12-27-19/h2-7,14H,8-13,15H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2419564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).