2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone

C15H23N3O — CID 120703329

IUPAC2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C15H23N3O/c1-13-5-3-4-6-14(13)12-17-7-9-18(10-8-17)15(19)11-16-2/h3-6,16H,7-12H2,1-2H3
InChIKeyZNCYMHPUQFLXCE-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.86
Rot. Bonds4

About 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone

2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 120703329) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID120703329
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C15H23N3O/c1-13-5-3-4-6-14(13)12-17-7-9-18(10-8-17)15(19)11-16-2/h3-6,16H,7-12H2,1-2H3
InChIKeyZNCYMHPUQFLXCE-UHFFFAOYSA-N
XLogP0.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
CID 27841214
2-(2-fluorophenyl)sulfanyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55359683
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
2-fluoro-1-[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]piperazin-1-yl]propan-1-one
CID 154706420
2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
CID 108996100
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
N-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide
CID 46654836
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 78754211
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119920308
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone (CID 120703329) is 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone is CNCC(=O)N1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is ZNCYMHPUQFLXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13-5-3-4-6-14(13)12-17-7-9-18(10-8-17)15(19)11-16-2/h3-6,16H,7-12H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone?
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 120703329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).