3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C21H25FN2O — CID 41448906

IUPAC3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-2-17-3-5-18(6-4-17)7-12-21(25)24-15-13-23(14-16-24)20-10-8-19(22)9-11-20/h3-6,8-11H,2,7,12-16H2,1H3
InChIKeyPYOPDLLUKDINPL-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.67
Rot. Bonds5

About 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 41448906) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID41448906
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-2-17-3-5-18(6-4-17)7-12-21(25)24-15-13-23(14-16-24)20-10-8-19(22)9-11-20/h3-6,8-11H,2,7,12-16H2,1H3
InChIKeyPYOPDLLUKDINPL-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113125379
3-(4-ethylphenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134010025
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
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CID 591294
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CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297793
3-[2-(4-fluorophenyl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109025121
ethyl 5-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CID 118710572
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide
CID 3622193

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 41448906) is 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CCc1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is PYOPDLLUKDINPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-2-17-3-5-18(6-4-17)7-12-21(25)24-15-13-23(14-16-24)20-10-8-19(22)9-11-20/h3-6,8-11H,2,7,12-16H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 340.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 41448906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).