2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide

C22H27FN4O2 — CID 8582755

IUPAC2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCC(=O)Nc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C22H27FN4O2/c1-16-4-3-5-20(17(16)2)27-12-10-26(11-13-27)15-22(29)24-14-21(28)25-19-8-6-18(23)7-9-19/h3-9H,10-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyWOQPPPRUCJXXPQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.32
Rot. Bonds6

About 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 8582755) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID8582755
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCC(=O)Nc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C22H27FN4O2/c1-16-4-3-5-20(17(16)2)27-12-10-26(11-13-27)15-22(29)24-14-21(28)25-19-8-6-18(23)7-9-19/h3-9H,10-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyWOQPPPRUCJXXPQ-UHFFFAOYSA-N
XLogP2.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)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-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 9257290
4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8582749
N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide
CID 8687125
N-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]acetamide
CID 2697800
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17438368
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55431961
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985
2-[4-[2-(2,6-dimethylanilino)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 78822996
N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 3592343
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 8582755) is 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide is Cc1cccc(N2CCN(CC(=O)NCC(=O)Nc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is WOQPPPRUCJXXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-16-4-3-5-20(17(16)2)27-12-10-26(11-13-27)15-22(29)24-14-21(28)25-19-8-6-18(23)7-9-19/h3-9H,10-15H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 398.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8582755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).