2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one

C21H25FN2O3 — CID 38574818

IUPAC2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN2O3/c1-21(2,27-18-9-7-16(22)8-10-18)20(25)24-13-11-23(12-14-24)17-5-4-6-19(15-17)26-3/h4-10,15H,11-14H2,1-3H3
InChIKeyDOAAZUDOALJASS-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one

2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 38574818) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID38574818
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN2O3/c1-21(2,27-18-9-7-16(22)8-10-18)20(25)24-13-11-23(12-14-24)17-5-4-6-19(15-17)26-3/h4-10,15H,11-14H2,1-3H3
InChIKeyDOAAZUDOALJASS-UHFFFAOYSA-N
XLogP3.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 7551162
2-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate
CID 22399430
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
4-fluoro-N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9268556
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate
CID 22069416
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
2-(4-fluorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 60956642
1-[2-(4-fluorophenoxy)-2-methylpropanoyl]-1,4-diazepan-5-one
CID 62046418
2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 154646222
N-(4-fluorophenyl)-2-[[C-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetamide
CID 111291193

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one (CID 38574818) is 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one is COc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is DOAAZUDOALJASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-21(2,27-18-9-7-16(22)8-10-18)20(25)24-13-11-23(12-14-24)17-5-4-6-19(15-17)26-3/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 372.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 38574818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).