N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide

C23H29FN3O2+ — CID 9020358

IUPACN-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide
SMILESCC(C)Cc1ccc(C(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-17(2)14-18-6-8-19(9-7-18)23(29)27-12-10-26(11-13-27)16-22(28)25-21-5-3-4-20(24)15-21/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,28)/p+1
InChIKeyPCLHSRUPLWGZBQ-UHFFFAOYSA-O
MW398.50 g/mol
LogP2.00
Rot. Bonds6

About N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 9020358) has the molecular formula C23H29FN3O2+ and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide
PubChem CID9020358
Molecular FormulaC23H29FN3O2+
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide
SMILESCC(C)Cc1ccc(C(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-17(2)14-18-6-8-19(9-7-18)23(29)27-12-10-26(11-13-27)16-22(28)25-21-5-3-4-20(24)15-21/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,28)/p+1
InChIKeyPCLHSRUPLWGZBQ-UHFFFAOYSA-O
XLogP2.00
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]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-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020364
2-[4-[2-(4-acetamidophenyl)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8732738
2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9214271
N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide
CID 9020166
N-(3-fluorophenyl)-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9214441
2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711156
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654034
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8591365
N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide
CID 9225284
N-(3-fluorophenyl)-2-[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide
CID 9020376

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide (CID 9020358) is N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide is CC(C)Cc1ccc(C(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide?
The InChIKey is PCLHSRUPLWGZBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28FN3O2/c1-17(2)14-18-6-8-19(9-7-18)23(29)27-12-10-26(11-13-27)16-22(28)25-21-5-3-4-20(24)15-21/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,28)/p+1.
What are the key properties of N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9020358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).