4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C21H24FN3O3 — CID 55599509

IUPAC4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1OCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-2-16-5-3-4-6-19(16)28-15-20(26)24-11-13-25(14-12-24)21(27)23-18-9-7-17(22)8-10-18/h3-10H,2,11-15H2,1H3,(H,23,27)
InChIKeyHCWHJVIPEQEFQM-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.14
Rot. Bonds5

About 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 55599509) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID55599509
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1OCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-2-16-5-3-4-6-19(16)28-15-20(26)24-11-13-25(14-12-24)21(27)23-18-9-7-17(22)8-10-18/h3-10H,2,11-15H2,1H3,(H,23,27)
InChIKeyHCWHJVIPEQEFQM-UHFFFAOYSA-N
XLogP3.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569944
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55395932
2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569933
3-[4-[2-(2-ethylphenoxy)acetyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543385
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
CID 27237321
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749262

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 55599509) is 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is CCc1ccccc1OCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is HCWHJVIPEQEFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-2-16-5-3-4-6-19(16)28-15-20(26)24-11-13-25(14-12-24)21(27)23-18-9-7-17(22)8-10-18/h3-10H,2,11-15H2,1H3,(H,23,27).
What are the key properties of 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55599509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).