1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C18H28N2O2 — CID 93193553

IUPAC1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCCCOc1cc(C)c(C(=O)CN2CCN(C)CC2)cc1C
InChIInChI=1S/C18H28N2O2/c1-5-10-22-18-12-14(2)16(11-15(18)3)17(21)13-20-8-6-19(4)7-9-20/h11-12H,5-10,13H2,1-4H3
InChIKeyOSSYARYOJSGNMT-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.52
Rot. Bonds6

About 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 93193553) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID93193553
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCCCOc1cc(C)c(C(=O)CN2CCN(C)CC2)cc1C
InChIInChI=1S/C18H28N2O2/c1-5-10-22-18-12-14(2)16(11-15(18)3)17(21)13-20-8-6-19(4)7-9-20/h11-12H,5-10,13H2,1-4H3
InChIKeyOSSYARYOJSGNMT-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-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 93193762
2-chloro-1-(2,5-dimethyl-4-propoxyphenyl)ethanone
CID 82053559
1-(2-butoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93192756
1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone
CID 82053584
1-(2,5-dimethyl-4-propoxyphenyl)-2-propylsulfanylethanone
CID 82053582
2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
CID 82051417
1-(4-hydroxy-2,3,5-trimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862015
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861545
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
ethyl 2-(2,5-dimethyl-4-propoxyphenyl)-2-oxoacetate
CID 82552278
1-(2,5-dimethylfuran-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861107

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 93193553) is 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is CCCOc1cc(C)c(C(=O)CN2CCN(C)CC2)cc1C.
What is the InChIKey of 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is OSSYARYOJSGNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-10-22-18-12-14(2)16(11-15(18)3)17(21)13-20-8-6-19(4)7-9-20/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone 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-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 93193553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).