1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one

C15H22N2O2 — CID 94274694

IUPAC1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCOc1ccccc1C(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H22N2O2/c1-16-9-11-17(12-10-16)8-7-14(18)13-5-3-4-6-15(13)19-2/h3-6H,7-12H2,1-2H3
InChIKeyZWHXOSOMAMOWIQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one

1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 94274694) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID94274694
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCOc1ccccc1C(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H22N2O2/c1-16-9-11-17(12-10-16)8-7-14(18)13-5-3-4-6-15(13)19-2/h3-6H,7-12H2,1-2H3
InChIKeyZWHXOSOMAMOWIQ-UHFFFAOYSA-N
XLogP1.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777985
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193638
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one (CID 94274694) is 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one is COc1ccccc1C(=O)CCN1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is ZWHXOSOMAMOWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-9-11-17(12-10-16)8-7-14(18)13-5-3-4-6-15(13)19-2/h3-6H,7-12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 94274694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).