1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one

C17H24N2O3 — CID 110359021

IUPAC1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-4-17(21)19-11-9-18(10-12-19)13-16(20)14-5-7-15(22-2)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKeyYDPIRDFTEJAATA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.82
Rot. Bonds6

About 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one

1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one (PubChem CID 110359021) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
PubChem CID110359021
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-4-17(21)19-11-9-18(10-12-19)13-16(20)14-5-7-15(22-2)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKeyYDPIRDFTEJAATA-UHFFFAOYSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110356972
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611236
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
3-(2-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611237
3-cyclopentyl-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one;oxalic acid
CID 126476702
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366424
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one (CID 110359021) is 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(CC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one?
The InChIKey is YDPIRDFTEJAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-17(21)19-11-9-18(10-12-19)13-16(20)14-5-7-15(22-2)8-6-14/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one?
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110359021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).