2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide

C14H17Br2N3O2 — CID 103908954

IUPAC2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C14H17Br2N3O2/c1-17-13(20)9-18-2-4-19(5-3-18)14(21)10-6-11(15)8-12(16)7-10/h6-8H,2-5,9H2,1H3,(H,17,20)
InChIKeyPKIAWOIPEBSOBX-UHFFFAOYSA-N
MW419.12 g/mol
LogP1.72
Rot. Bonds3

About 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 103908954) has the molecular formula C14H17Br2N3O2 and a molecular weight of 419.12 g/mol. Its IUPAC name is 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID103908954
Molecular FormulaC14H17Br2N3O2
Molecular Weight419.12 g/mol
Exact Mass416.97
IUPAC Name2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C14H17Br2N3O2/c1-17-13(20)9-18-2-4-19(5-3-18)14(21)10-6-11(15)8-12(16)7-10/h6-8H,2-5,9H2,1H3,(H,17,20)
InChIKeyPKIAWOIPEBSOBX-UHFFFAOYSA-N
XLogP1.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide 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-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
methyl 4-(3,5-dibromobenzoyl)piperazine-1-carboxylate
CID 103908088
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498
2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 114325955
2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 107074633
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(3,5-dibromophenyl)methanone
CID 107974803
(3,5-dibromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 103907500
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51206875
N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 134025795

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide (CID 103908954) is 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1.
What is the InChIKey of 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is PKIAWOIPEBSOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3O2/c1-17-13(20)9-18-2-4-19(5-3-18)14(21)10-6-11(15)8-12(16)7-10/h6-8H,2-5,9H2,1H3,(H,17,20).
What are the key properties of 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 419.12 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 103908954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).