2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone

C16H24N2O — CID 110662365

IUPAC2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CC(C)N(C)C(C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-12-5-7-15(8-6-12)9-16(19)18-10-13(2)17(4)14(3)11-18/h5-8,13-14H,9-11H2,1-4H3
InChIKeyCMNZIDATFPGXAB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone

2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone (PubChem CID 110662365) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
PubChem CID110662365
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CC(C)N(C)C(C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-12-5-7-15(8-6-12)9-16(19)18-10-13(2)17(4)14(3)11-18/h5-8,13-14H,9-11H2,1-4H3
InChIKeyCMNZIDATFPGXAB-UHFFFAOYSA-N
XLogP2.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone
CID 121189085
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
2-(2-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662366
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 118776593
2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 119314467
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365770

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone (CID 110662365) is 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone is Cc1ccc(CC(=O)N2CC(C)N(C)C(C)C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The InChIKey is CMNZIDATFPGXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-7-15(8-6-12)9-16(19)18-10-13(2)17(4)14(3)11-18/h5-8,13-14H,9-11H2,1-4H3.
What are the key properties of 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110662365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).