2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide

C14H18BrN3O2 — CID 47110835

IUPAC2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H18BrN3O2/c1-16-13(19)10-17-6-8-18(9-7-17)14(20)11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3,(H,16,19)
InChIKeyPQEJYMGBFZGWSU-UHFFFAOYSA-N
MW340.22 g/mol
LogP0.95
Rot. Bonds3

About 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 47110835) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID47110835
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H18BrN3O2/c1-16-13(19)10-17-6-8-18(9-7-17)14(20)11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3,(H,16,19)
InChIKeyPQEJYMGBFZGWSU-UHFFFAOYSA-N
XLogP0.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 107074633
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 103908954
2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 4197807
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
2-[4-[2-(3,4-dichlorobenzoyl)benzoyl]-1,4-diazepan-1-yl]-N-methylacetamide
CID 166195242
1-[4-(2-bromobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817935
(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19327543
2-methylpropyl 4-(2-bromobenzoyl)piperazine-1-carboxylate
CID 108567870
2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide
CID 36918078

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide (CID 47110835) is 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is PQEJYMGBFZGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-16-13(19)10-17-6-8-18(9-7-17)14(20)11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3,(H,16,19).
What are the key properties of 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 340.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 47110835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).