4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one

C14H17BrN2O2 — CID 110708285

IUPAC4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2/c1-10-14(19)16(2)7-8-17(10)13(18)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyUHZOXCORKHQQJV-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.68
Rot. Bonds2

About 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one

4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one (PubChem CID 110708285) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one
PubChem CID110708285
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2/c1-10-14(19)16(2)7-8-17(10)13(18)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyUHZOXCORKHQQJV-UHFFFAOYSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-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-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one
CID 110741176
4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one
CID 139007551
2-(4-bromophenyl)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
CID 110739849
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
CID 110708267
4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one
CID 110708288
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
1-[2-(bromomethyl)piperidin-1-yl]-2-(4-bromophenyl)ethanone
CID 80659749
2-(4-bromophenyl)-1-[2-(chloromethyl)pyrrolidin-1-yl]ethanone
CID 55186103

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one (CID 110708285) is 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one is CC1C(=O)N(C)CCN1C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is UHZOXCORKHQQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10-14(19)16(2)7-8-17(10)13(18)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one?
4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 325.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 110708285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).