1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone

C22H28FN3O3 — CID 78795589

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
SMILESCOc1ccc(OCCN(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O3/c1-24(15-16-29-21-9-7-20(28-2)8-10-21)17-22(27)26-13-11-25(12-14-26)19-5-3-18(23)4-6-19/h3-10H,11-17H2,1-2H3
InChIKeyCPFCSAURKUPBQN-UHFFFAOYSA-N
MW401.48 g/mol
LogP2.49
Rot. Bonds8

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone (PubChem CID 78795589) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
PubChem CID78795589
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
SMILESCOc1ccc(OCCN(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O3/c1-24(15-16-29-21-9-7-20(28-2)8-10-21)17-22(27)26-13-11-25(12-14-26)19-5-3-18(23)4-6-19/h3-10H,11-17H2,1-2H3
InChIKeyCPFCSAURKUPBQN-UHFFFAOYSA-N
XLogP2.49
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55431470
2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 4781236
2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55830450
4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 24507656
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 55358521
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
2-[(4-bromophenyl)methyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 32516891
4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 19798421
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60500196
5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297793

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone (CID 78795589) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone is COc1ccc(OCCN(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone?
The InChIKey is CPFCSAURKUPBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-24(15-16-29-21-9-7-20(28-2)8-10-21)17-22(27)26-13-11-25(12-14-26)19-5-3-18(23)4-6-19/h3-10H,11-17H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone has a molecular weight of 401.48 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone is sourced from PubChem (CID 78795589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).