2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone

C20H25N3O — CID 109002134

IUPAC2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cccc(C)c1NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-16-7-6-8-17(2)20(16)21-15-19(24)23-13-11-22(12-14-23)18-9-4-3-5-10-18/h3-10,21H,11-15H2,1-2H3
InChIKeyUONGJCGNRMDEDQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.06
Rot. Bonds4

About 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 109002134) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID109002134
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cccc(C)c1NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-16-7-6-8-17(2)20(16)21-15-19(24)23-13-11-22(12-14-23)18-9-4-3-5-10-18/h3-10,21H,11-15H2,1-2H3
InChIKeyUONGJCGNRMDEDQ-UHFFFAOYSA-N
XLogP3.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
2-(2-ethyl-6-methylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56503227
2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002179
methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17407026
ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17469283
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
N-(2,6-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113168676
2-(3-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004018

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone (CID 109002134) is 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone is Cc1cccc(C)c1NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is UONGJCGNRMDEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-7-6-8-17(2)20(16)21-15-19(24)23-13-11-22(12-14-23)18-9-4-3-5-10-18/h3-10,21H,11-15H2,1-2H3.
What are the key properties of 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 323.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109002134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).