2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide

C17H23FN4O3 — CID 26383070

IUPAC2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCN(c2ccc(C(C)=O)cc2F)CC1
InChIInChI=1S/C17H23FN4O3/c1-3-19-17(25)20-16(24)11-21-6-8-22(9-7-21)15-5-4-13(12(2)23)10-14(15)18/h4-5,10H,3,6-9,11H2,1-2H3,(H2,19,20,24,25)
InChIKeyMXPMYOPWRBDMST-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.00
Rot. Bonds5

About 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide (PubChem CID 26383070) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
PubChem CID26383070
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCN(c2ccc(C(C)=O)cc2F)CC1
InChIInChI=1S/C17H23FN4O3/c1-3-19-17(25)20-16(24)11-21-6-8-22(9-7-21)15-5-4-13(12(2)23)10-14(15)18/h4-5,10H,3,6-9,11H2,1-2H3,(H2,19,20,24,25)
InChIKeyMXPMYOPWRBDMST-UHFFFAOYSA-N
XLogP1.00
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 34915411
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 26383061
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36856314
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 26382499
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34193850
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 34915311
methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate
CID 26382410
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 51322795
N-(ethylcarbamoyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 31376867
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide (CID 26383070) is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN1CCN(c2ccc(C(C)=O)cc2F)CC1.
What is the InChIKey of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is MXPMYOPWRBDMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-3-19-17(25)20-16(24)11-21-6-8-22(9-7-21)15-5-4-13(12(2)23)10-14(15)18/h4-5,10H,3,6-9,11H2,1-2H3,(H2,19,20,24,25).
What are the key properties of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide?
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 350.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 26383070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).