3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one

C17H26N2O — CID 95477399

IUPAC3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
SMILESCC(C)Cc1ccc(CCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14(2)13-16-5-3-15(4-6-16)7-8-17(20)19-11-9-18-10-12-19/h3-6,14,18H,7-13H2,1-2H3
InChIKeyBRFYAHUMDMNJFJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.25
Rot. Bonds5

About 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one

3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one (PubChem CID 95477399) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
PubChem CID95477399
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
SMILESCC(C)Cc1ccc(CCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14(2)13-16-5-3-15(4-6-16)7-8-17(20)19-11-9-18-10-12-19/h3-6,14,18H,7-13H2,1-2H3
InChIKeyBRFYAHUMDMNJFJ-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-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

2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
1-(1,4-diazepan-1-yl)-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione;hydrochloride
CID 119416709
N-ethyl-4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775995
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83931157
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797362
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119417766

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one (CID 95477399) is 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one is CC(C)Cc1ccc(CCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is BRFYAHUMDMNJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)13-16-5-3-15(4-6-16)7-8-17(20)19-11-9-18-10-12-19/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one?
3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 95477399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).