(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C17H22N4O — CID 94068052

IUPAC(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)c1
InChIInChI=1S/C17H22N4O/c1-14-4-3-5-16(12-14)19-8-10-20(11-9-19)17(22)15(2)21-7-6-18-13-21/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m1/s1
InChIKeyUSQPMGLSPYCPJN-OAHLLOKOSA-N
MW298.39 g/mol
LogP2.10
Rot. Bonds3

About (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 94068052) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID94068052
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)c1
InChIInChI=1S/C17H22N4O/c1-14-4-3-5-16(12-14)19-8-10-20(11-9-19)17(22)15(2)21-7-6-18-13-21/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m1/s1
InChIKeyUSQPMGLSPYCPJN-OAHLLOKOSA-N
XLogP2.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one 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

(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94004421
2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110854224
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
2-amino-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 24695341
(2-imidazol-1-yl-4-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51085847
(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95293130
N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 43034873
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119837563
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 94068052) is (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)c1.
What is the InChIKey of (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is USQPMGLSPYCPJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-4-3-5-16(12-14)19-8-10-20(11-9-19)17(22)15(2)21-7-6-18-13-21/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 94068052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).