3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one

C17H24N2O2 — CID 110366198

IUPAC3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCN(CC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-14(2)12-17(21)19-10-8-18(9-11-19)13-16(20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyVNEFJQKUQVAVJM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds5

About 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one

3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one (PubChem CID 110366198) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one
PubChem CID110366198
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCN(CC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-14(2)12-17(21)19-10-8-18(9-11-19)13-16(20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyVNEFJQKUQVAVJM-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-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-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylbutan-1-one
CID 110421382
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110358796
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione
CID 91004491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one (CID 110366198) is 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one is CC(C)CC(=O)N1CCN(CC(=O)c2ccccc2)CC1.
What is the InChIKey of 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one?
The InChIKey is VNEFJQKUQVAVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(2)12-17(21)19-10-8-18(9-11-19)13-16(20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one?
3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 110366198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).