N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

C22H25N3O4 — CID 113163244

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C22H25N3O4/c1-17(26)25(14-18-7-8-20-21(13-18)29-16-28-20)15-22(27)24-11-9-23(10-12-24)19-5-3-2-4-6-19/h2-8,13H,9-12,14-16H2,1H3
InChIKeyNDSYJGFFGUEBCP-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.11
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 113163244) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID113163244
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C22H25N3O4/c1-17(26)25(14-18-7-8-20-21(13-18)29-16-28-20)15-22(27)24-11-9-23(10-12-24)19-5-3-2-4-6-19/h2-8,13H,9-12,14-16H2,1H3
InChIKeyNDSYJGFFGUEBCP-UHFFFAOYSA-N
XLogP2.11
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]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-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113163250
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113120031
N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113161012
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9346761
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113163325
N-(2-methylpropyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113158861
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 42836548
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8924523
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113163276

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 113163244) is N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is NDSYJGFFGUEBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-17(26)25(14-18-7-8-20-21(13-18)29-16-28-20)15-22(27)24-11-9-23(10-12-24)19-5-3-2-4-6-19/h2-8,13H,9-12,14-16H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 113163244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).