1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone

C21H24N2O4 — CID 110359047

IUPAC1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-18-9-7-17(8-10-18)20(24)15-22-11-13-23(14-12-22)21(25)16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyFQWUQGHTTZXADE-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.10
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone

1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone (PubChem CID 110359047) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
PubChem CID110359047
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-18-9-7-17(8-10-18)20(24)15-22-11-13-23(14-12-22)21(25)16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyFQWUQGHTTZXADE-UHFFFAOYSA-N
XLogP2.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110366791
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
3-(2-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611237
1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone (CID 110359047) is 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone is COc1ccc(C(=O)CN2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The InChIKey is FQWUQGHTTZXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-9-7-17(8-10-18)20(24)15-22-11-13-23(14-12-22)21(25)16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone has a molecular weight of 368.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110359047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).