3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one

C17H25BrN2O — CID 110355527

IUPAC3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCC(C)C(CC(=O)N1CCN(C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O/c1-13(2)16(14-4-6-15(18)7-5-14)12-17(21)20-10-8-19(3)9-11-20/h4-7,13,16H,8-12H2,1-3H3
InChIKeyUZSNWSOYAQDKCQ-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.35
Rot. Bonds4

About 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one

3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one (PubChem CID 110355527) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
PubChem CID110355527
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCC(C)C(CC(=O)N1CCN(C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O/c1-13(2)16(14-4-6-15(18)7-5-14)12-17(21)20-10-8-19(3)9-11-20/h4-7,13,16H,8-12H2,1-3H3
InChIKeyUZSNWSOYAQDKCQ-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-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-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60694356
3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 110408400
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
CID 906828
3-(4-chlorophenyl)-1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 110617917
2-[(4-bromophenyl)methylsulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 2972310
(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 906626
3-(4-aminophenyl)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 104502086
3-(4-fluorophenyl)-4-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 110355854
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-triphenylphosphanium
CID 11743885

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one (CID 110355527) is 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one is CC(C)C(CC(=O)N1CCN(C)CC1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The InChIKey is UZSNWSOYAQDKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-13(2)16(14-4-6-15(18)7-5-14)12-17(21)20-10-8-19(3)9-11-20/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one has a molecular weight of 353.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 110355527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).