2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone

C17H26N4O — CID 145048899

IUPAC2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccccc1NCC(=O)N1CCN(C2CN(C)C2)CC1
InChIInChI=1S/C17H26N4O/c1-14-5-3-4-6-16(14)18-11-17(22)21-9-7-20(8-10-21)15-12-19(2)13-15/h3-6,15,18H,7-13H2,1-2H3
InChIKeyHWGJYVTZGLBETI-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.87
Rot. Bonds4

About 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone

2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone (PubChem CID 145048899) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone
PubChem CID145048899
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccccc1NCC(=O)N1CCN(C2CN(C)C2)CC1
InChIInChI=1S/C17H26N4O/c1-14-5-3-4-6-16(14)18-11-17(22)21-9-7-20(8-10-21)15-12-19(2)13-15/h3-6,15,18H,7-13H2,1-2H3
InChIKeyHWGJYVTZGLBETI-UHFFFAOYSA-N
XLogP0.87
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 109004538
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393
2-(2-iodoanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28878586
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-propan-2-ylanilino)ethanone
CID 109004243
N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944390
1-[3-[4-[2-(4-chloro-2-hydroxy-5-methylanilino)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 86279885
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 60536680
1-(4-benzylpiperazin-1-yl)-2-(2,3-dimethylanilino)ethanone
CID 109002020
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone (CID 145048899) is 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone is Cc1ccccc1NCC(=O)N1CCN(C2CN(C)C2)CC1.
What is the InChIKey of 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is HWGJYVTZGLBETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14-5-3-4-6-16(14)18-11-17(22)21-9-7-20(8-10-21)15-12-19(2)13-15/h3-6,15,18H,7-13H2,1-2H3.
What are the key properties of 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone?
2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 145048899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).