3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one

C16H24N2O2 — CID 118909812

IUPAC3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
SMILESCOCCN1CCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-14-13-18-11-9-17(10-12-18)8-7-16(19)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyPQFZHUOEWLBRJG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.52
Rot. Bonds7

About 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one

3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one (PubChem CID 118909812) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
PubChem CID118909812
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
SMILESCOCCN1CCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-14-13-18-11-9-17(10-12-18)8-7-16(19)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyPQFZHUOEWLBRJG-UHFFFAOYSA-N
XLogP1.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
3-methoxy-1-phenylpropan-1-one
CID 10942788
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 15870243
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
3-(4-benzoylpiperazin-1-yl)-1-[4-(4-methoxyphenoxy)phenyl]propan-1-one;dihydrochloride
CID 18362769
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one (CID 118909812) is 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one is COCCN1CCN(CCC(=O)c2ccccc2)CC1.
What is the InChIKey of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one?
The InChIKey is PQFZHUOEWLBRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-14-13-18-11-9-17(10-12-18)8-7-16(19)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one?
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 118909812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).