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

C18H17BrN2O2 — CID 110657163

IUPAC4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O2/c1-12-6-2-3-7-13(12)16-17(22)20-10-11-21(16)18(23)14-8-4-5-9-15(14)19/h2-9,16H,10-11H2,1H3,(H,20,22)
InChIKeyIFCPIMALWLNMMK-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.07
Rot. Bonds2

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

4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one (PubChem CID 110657163) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
PubChem CID110657163
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O2/c1-12-6-2-3-7-13(12)16-17(22)20-10-11-21(16)18(23)14-8-4-5-9-15(14)19/h2-9,16H,10-11H2,1H3,(H,20,22)
InChIKeyIFCPIMALWLNMMK-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-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110420010
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
4-(2H-benzotriazole-4-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 86804542
4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644742
3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 110657229
4-(adamantane-1-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657233
1-[2-(2-bromophenyl)-3-oxopiperazin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 75396699

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one (CID 110657163) is 4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one is Cc1ccccc1C1C(=O)NCCN1C(=O)c1ccccc1Br.
What is the InChIKey of 4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is IFCPIMALWLNMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-6-2-3-7-13(12)16-17(22)20-10-11-21(16)18(23)14-8-4-5-9-15(14)19/h2-9,16H,10-11H2,1H3,(H,20,22).
What are the key properties of 4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one?
4-(2-bromobenzoyl)-3-(2-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-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110657163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).