4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one

C18H17BrN2O2 — CID 110420010

IUPAC4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2C(=O)NCCN2C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12-6-8-13(9-7-12)16-17(22)20-10-11-21(16)18(23)14-4-2-3-5-15(14)19/h2-9,16H,10-11H2,1H3,(H,20,22)
InChIKeyMSFVJRFMSOWJAK-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.07
Rot. Bonds2

About 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one

4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one (PubChem CID 110420010) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one
PubChem CID110420010
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2C(=O)NCCN2C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12-6-8-13(9-7-12)16-17(22)20-10-11-21(16)18(23)14-4-2-3-5-15(14)19/h2-9,16H,10-11H2,1H3,(H,20,22)
InChIKeyMSFVJRFMSOWJAK-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644742
4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644668
1-[2-(2-bromophenyl)-3-oxopiperazin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 75396699
4-(3,3-dimethylbutanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644711
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985
4-(2-bromobenzoyl)-3-methylpiperazine-2-carboxylic acid
CID 84607508

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one (CID 110420010) is 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one is Cc1ccc(C2C(=O)NCCN2C(=O)c2ccccc2Br)cc1.
What is the InChIKey of 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one?
The InChIKey is MSFVJRFMSOWJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-6-8-13(9-7-12)16-17(22)20-10-11-21(16)18(23)14-4-2-3-5-15(14)19/h2-9,16H,10-11H2,1H3,(H,20,22).
What are the key properties of 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one?
4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one has a molecular weight of 373.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110420010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).