2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone

C13H19N3O — CID 83971864

IUPAC2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone
SMILESCNCC(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c1-14-10-13(17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,14-15H,6-10H2,1H3
InChIKeyOFMYZRLLRPRGQN-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.50
Rot. Bonds4

About 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone

2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone (PubChem CID 83971864) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone
PubChem CID83971864
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone
SMILESCNCC(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c1-14-10-13(17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,14-15H,6-10H2,1H3
InChIKeyOFMYZRLLRPRGQN-UHFFFAOYSA-N
XLogP0.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
CID 117365072
2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol
CID 83971909
1-[4-[2-(methylamino)acetyl]phenyl]piperazine-2,5-dione
CID 117407059
4-(1,4-diazepan-1-yl)benzamide;hydrochloride
CID 68552362
N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine
CID 169474344
hydroxy-methyl-(4-piperazin-1-ylphenyl)sulfanium
CID 143288996
azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone
CID 69365668
1-N,3-N-bis[1-(4-piperazin-1-ylphenyl)ethylidene]propane-1,2,3-triimine
CID 149056967
butyl 4-piperazin-1-ylbenzoate;ethyl 4-piperazin-1-ylbenzoate
CID 158696483
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
CID 174533104
1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
CID 79159730

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone?
The IUPAC name of 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone (CID 83971864) is 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone is CNCC(=O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone?
The InChIKey is OFMYZRLLRPRGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-10-13(17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,14-15H,6-10H2,1H3.
What are the key properties of 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone?
2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone is sourced from PubChem (CID 83971864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).