2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C23H28FN3O3 — CID 8749262

IUPAC2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O3/c1-2-30-21-6-4-3-5-18(21)7-12-23(29)27-15-13-26(14-16-27)17-22(28)25-20-10-8-19(24)9-11-20/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,28)
InChIKeyDUTFOPUADXOAPU-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.94
Rot. Bonds8

About 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 8749262) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID8749262
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O3/c1-2-30-21-6-4-3-5-18(21)7-12-23(29)27-15-13-26(14-16-27)17-22(28)25-20-10-8-19(24)9-11-20/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,28)
InChIKeyDUTFOPUADXOAPU-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 32964591
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110613299
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684
N-(4-fluorophenyl)-2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737327
3-(2-ethoxyphenyl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
CID 55685306
N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719305
N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 55733574
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 55599509
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
2-[4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 41415548

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 8749262) is 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is CCOc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is DUTFOPUADXOAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-2-30-21-6-4-3-5-18(21)7-12-23(29)27-15-13-26(14-16-27)17-22(28)25-20-10-8-19(24)9-11-20/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,28).
What are the key properties of 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 413.49 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8749262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).