1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one

C16H25N3O — CID 60719002

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C16H25N3O/c1-12-6-5-7-15(13(12)2)18-8-10-19(11-9-18)16(20)14(3)17-4/h5-7,14,17H,8-11H2,1-4H3
InChIKeyVWOFICNHZHXPAU-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.56
Rot. Bonds3

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one (PubChem CID 60719002) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one
PubChem CID60719002
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C16H25N3O/c1-12-6-5-7-15(13(12)2)18-8-10-19(11-9-18)16(20)14(3)17-4/h5-7,14,17H,8-11H2,1-4H3
InChIKeyVWOFICNHZHXPAU-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)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

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119828404
3-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62728459
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 51082075
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 87040086
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
(2S)-2-(4-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 7494519
[(2S,3S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 7918845

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one (CID 60719002) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one is CNC(C)C(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one?
The InChIKey is VWOFICNHZHXPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-5-7-15(13(12)2)18-8-10-19(11-9-18)16(20)14(3)17-4/h5-7,14,17H,8-11H2,1-4H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one is sourced from PubChem (CID 60719002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).