5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one

C22H27FN2O2 — CID 110297793

IUPAC5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCCCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O2/c1-27-21-12-10-20(11-13-21)24-14-16-25(17-15-24)22(26)5-3-2-4-18-6-8-19(23)9-7-18/h6-13H,2-5,14-17H2,1H3
InChIKeyICUPSOHJWFSCEJ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.90
Rot. Bonds7

About 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one

5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one (PubChem CID 110297793) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
PubChem CID110297793
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCCCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O2/c1-27-21-12-10-20(11-13-21)24-14-16-25(17-15-24)22(26)5-3-2-4-18-6-8-19(23)9-7-18/h6-13H,2-5,14-17H2,1H3
InChIKeyICUPSOHJWFSCEJ-UHFFFAOYSA-N
XLogP3.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
3-[2-(4-fluorophenyl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109025121
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111169577
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 55358521
(4-fluorophenyl)methyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593037
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one (CID 110297793) is 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one is COc1ccc(N2CCN(C(=O)CCCCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is ICUPSOHJWFSCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-27-21-12-10-20(11-13-21)24-14-16-25(17-15-24)22(26)5-3-2-4-18-6-8-19(23)9-7-18/h6-13H,2-5,14-17H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one?
5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one has a molecular weight of 370.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110297793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).