1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

C22H27FN2O3 — CID 110602349

IUPAC1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C22H27FN2O3/c1-27-20-9-2-3-10-21(20)28-17-22(26)25-14-12-24(13-15-25)11-5-7-18-6-4-8-19(23)16-18/h2-4,6,8-10,16H,5,7,11-15,17H2,1H3
InChIKeyHIEWSCPCQKIQKY-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.99
Rot. Bonds8

About 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 110602349) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID110602349
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C22H27FN2O3/c1-27-20-9-2-3-10-21(20)28-17-22(26)25-14-12-24(13-15-25)11-5-7-18-6-4-8-19(23)16-18/h2-4,6,8-10,16H,5,7,11-15,17H2,1H3
InChIKeyHIEWSCPCQKIQKY-UHFFFAOYSA-N
XLogP2.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone with MolForge

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699
2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 1360908
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95345574
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110608671
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113073822
2,2,2-trifluoro-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533450
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
CID 110608661

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 110602349) is 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1CCN(CCCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is HIEWSCPCQKIQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-27-20-9-2-3-10-21(20)28-17-22(26)25-14-12-24(13-15-25)11-5-7-18-6-4-8-19(23)16-18/h2-4,6,8-10,16H,5,7,11-15,17H2,1H3.
What are the key properties of 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 386.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 110602349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).