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

C21H25N3O3 — CID 18189844

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccccc2NC(=O)Cc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C21H25N3O3/c1-23-8-10-24(11-9-23)18-5-3-2-4-17(18)22-21(25)15-16-6-7-19-20(14-16)27-13-12-26-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)
InChIKeyKERPVKXVDCVWEF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.39
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 18189844) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID18189844
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccccc2NC(=O)Cc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C21H25N3O3/c1-23-8-10-24(11-9-23)18-5-3-2-4-17(18)22-21(25)15-16-6-7-19-20(14-16)27-13-12-26-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)
InChIKeyKERPVKXVDCVWEF-UHFFFAOYSA-N
XLogP2.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7688641
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 18121767
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 26515849
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 18166634
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108508569
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 17400891
N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide;oxalic acid
CID 171668708
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-5-methylbenzoic acid
CID 171703682
N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956531
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 18189844) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccccc2NC(=O)Cc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is KERPVKXVDCVWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23-8-10-24(11-9-23)18-5-3-2-4-17(18)22-21(25)15-16-6-7-19-20(14-16)27-13-12-26-19/h2-7,14H,8-13,15H2,1H3,(H,22,25).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 18189844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).