N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide

C18H23FN5O4+ — CID 9225284

IUPACN-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide
SMILESCN1CC(=O)N(CC(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C18H22FN5O4/c1-21-11-17(27)24(18(21)28)12-16(26)23-7-5-22(6-8-23)10-15(25)20-14-4-2-3-13(19)9-14/h2-4,9H,5-8,10-12H2,1H3,(H,20,25)/p+1
InChIKeyHRCZIDSRKWKAMY-UHFFFAOYSA-O
MW392.41 g/mol
LogP-1.61
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 9225284) has the molecular formula C18H23FN5O4+ and a molecular weight of 392.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide
PubChem CID9225284
Molecular FormulaC18H23FN5O4+
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC NameN-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide
SMILESCN1CC(=O)N(CC(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C18H22FN5O4/c1-21-11-17(27)24(18(21)28)12-16(26)23-7-5-22(6-8-23)10-15(25)20-14-4-2-3-13(19)9-14/h2-4,9H,5-8,10-12H2,1H3,(H,20,25)/p+1
InChIKeyHRCZIDSRKWKAMY-UHFFFAOYSA-O
XLogP-1.61
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-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

Related Compounds

2-[4-[2-(4-acetamidophenyl)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8732738
N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide
CID 9020166
tert-butyl N-[4-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-4-oxobutyl]carbamate
CID 9225296
2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020364
2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9214271
[2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754880
N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide
CID 9020358
N-(3-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-ium-1-yl]acetamide
CID 9225334
[2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804490
N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654034
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8591365
N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014767

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide (CID 9225284) is N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide is CN1CC(=O)N(CC(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)C1=O.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide?
The InChIKey is HRCZIDSRKWKAMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22FN5O4/c1-21-11-17(27)24(18(21)28)12-16(26)23-7-5-22(6-8-23)10-15(25)20-14-4-2-3-13(19)9-14/h2-4,9H,5-8,10-12H2,1H3,(H,20,25)/p+1.
What are the key properties of N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 392.41 g/mol, XLogP of -1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9225284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).