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

C20H20FN3O4 — CID 44892063

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN3O4/c21-14-1-4-16(5-2-14)23-7-9-24(10-8-23)20(26)19(25)22-15-3-6-17-18(13-15)28-12-11-27-17/h1-6,13H,7-12H2,(H,22,25)
InChIKeyHWTNEMKZDLKVKO-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.88
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 44892063) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID44892063
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN3O4/c21-14-1-4-16(5-2-14)23-7-9-24(10-8-23)20(26)19(25)22-15-3-6-17-18(13-15)28-12-11-27-17/h1-6,13H,7-12H2,(H,22,25)
InChIKeyHWTNEMKZDLKVKO-UHFFFAOYSA-N
XLogP1.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902018
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 58350638
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide
CID 108508662
2-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 108508457
N'-(1,3-benzodioxol-5-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390476
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 6258069
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17087387
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 75467711

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (CID 44892063) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is O=C(Nc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is HWTNEMKZDLKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-14-1-4-16(5-2-14)23-7-9-24(10-8-23)20(26)19(25)22-15-3-6-17-18(13-15)28-12-11-27-17/h1-6,13H,7-12H2,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 385.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44892063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).