2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one

C18H28N2O — CID 113076400

IUPAC2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(C(C)C)c1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)16-8-6-7-15(5)17(16)19-9-11-20(12-10-19)18(21)14(3)4/h6-8,13-14H,9-12H2,1-5H3
InChIKeyDSUHOSWVBQNVRW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 113076400) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
PubChem CID113076400
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(C(C)C)c1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)16-8-6-7-15(5)17(16)19-9-11-20(12-10-19)18(21)14(3)4/h6-8,13-14H,9-12H2,1-5H3
InChIKeyDSUHOSWVBQNVRW-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)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

[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076408
(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076410
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112535
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112562
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 176811294
2-methyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 7539254
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113109567
3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117013204
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one (CID 113076400) is 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(C(C)C)c1N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is DSUHOSWVBQNVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)16-8-6-7-15(5)17(16)19-9-11-20(12-10-19)18(21)14(3)4/h6-8,13-14H,9-12H2,1-5H3.
What are the key properties of 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 113076400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).