2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone

C19H30N2O2 — CID 93192549

IUPAC2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
SMILESCCN1CCN(CC(=O)c2ccc(OCC(C)C)c(C)c2)CC1
InChIInChI=1S/C19H30N2O2/c1-5-20-8-10-21(11-9-20)13-18(22)17-6-7-19(16(4)12-17)23-14-15(2)3/h6-7,12,15H,5,8-11,13-14H2,1-4H3
InChIKeyOLNPEFQFHUMHDY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.85
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone

2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone (PubChem CID 93192549) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
PubChem CID93192549
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
SMILESCCN1CCN(CC(=O)c2ccc(OCC(C)C)c(C)c2)CC1
InChIInChI=1S/C19H30N2O2/c1-5-20-8-10-21(11-9-20)13-18(22)17-6-7-19(16(4)12-17)23-14-15(2)3/h6-7,12,15H,5,8-11,13-14H2,1-4H3
InChIKeyOLNPEFQFHUMHDY-UHFFFAOYSA-N
XLogP2.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone
CID 82051495
4-chloro-1-[3-methyl-4-(2-methylpropoxy)phenyl]butan-1-one
CID 82051503
4-[3-methyl-4-(2-methylpropoxy)phenyl]-4-oxobutanoic acid
CID 82051476
2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
CID 82051417
2,2,2-trifluoro-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 91656792
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 93192466
2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
CID 18918578
1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
CID 91657177
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone (CID 93192549) is 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone is CCN1CCN(CC(=O)c2ccc(OCC(C)C)c(C)c2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone?
The InChIKey is OLNPEFQFHUMHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-20-8-10-21(11-9-20)13-18(22)17-6-7-19(16(4)12-17)23-14-15(2)3/h6-7,12,15H,5,8-11,13-14H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone?
2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone is sourced from PubChem (CID 93192549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).