1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C20H23FN2O3 — CID 3242978

IUPAC1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C20H23FN2O3/c1-25-19-8-3-15(13-20(19)26-2)18(24)14-22-9-11-23(12-10-22)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyKFANEWAMJDVDMP-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.85
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 3242978) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID3242978
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C20H23FN2O3/c1-25-19-8-3-15(13-20(19)26-2)18(24)14-22-9-11-23(12-10-22)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyKFANEWAMJDVDMP-UHFFFAOYSA-N
XLogP2.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ecabapide
CID 65885
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8001903
Benzo[1,3]dioxol-5-yl-[4-(4-fluoro-phenyl)-piperazin-1-yl]-methanone
CID 647876
1-(1,3-Benzodioxol-5-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 3238991
1-(4-Fluorophenyl)-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethanone
CID 28307
1-(4-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-2-hydroxypropoxy)-3-methoxyphenyl)ethanone
CID 2946224
1-(3-Methoxy-phenyl)-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butan-1-one
CID 11726532
4-Acetyl-2-methoxyphenyl methyl(phenyl)carbamate
CID 890771
(E)-1-(3,4-dimethoxyphenyl)-3-(3-methoxyanilino)prop-2-en-1-one
CID 1930042
N-(2-Fluoro-phenyl)-2-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-acetamide
CID 24761956

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 3242978) is 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is COc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is KFANEWAMJDVDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-19-8-3-15(13-20(19)26-2)18(24)14-22-9-11-23(12-10-22)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 358.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 3242978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).