1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one

C18H28N2O2 — CID 93193638

IUPAC1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCCOc1ccc(C(=O)CCN2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C18H28N2O2/c1-5-22-18-7-6-16(14(2)15(18)3)17(21)8-9-20-12-10-19(4)11-13-20/h6-7H,5,8-13H2,1-4H3
InChIKeyKRNQOPILIUBDBM-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.52
Rot. Bonds6

About 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one

1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 93193638) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID93193638
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCCOc1ccc(C(=O)CCN2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C18H28N2O2/c1-5-22-18-7-6-16(14(2)15(18)3)17(21)8-9-20-12-10-19(4)11-13-20/h6-7H,5,8-13H2,1-4H3
InChIKeyKRNQOPILIUBDBM-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
1-(3-amino-4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
1-(4-ethoxy-2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193304
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82051123
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694
1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone
CID 82053698
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
CID 170862115
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
CID 82262863
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one (CID 93193638) is 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one is CCOc1ccc(C(=O)CCN2CCN(C)CC2)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is KRNQOPILIUBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-22-18-7-6-16(14(2)15(18)3)17(21)8-9-20-12-10-19(4)11-13-20/h6-7H,5,8-13H2,1-4H3.
What are the key properties of 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one?
1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 93193638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).