2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide

C14H18BrN3O2 — CID 47110866

IUPAC2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H18BrN3O2/c1-16-13(19)10-17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3,(H,16,19)
InChIKeyMVOZDHGVHUWVPY-UHFFFAOYSA-N
MW340.22 g/mol
LogP0.95
Rot. Bonds3

About 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 47110866) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID47110866
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H18BrN3O2/c1-16-13(19)10-17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3,(H,16,19)
InChIKeyMVOZDHGVHUWVPY-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-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 103908954
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
2-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824100
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753438
(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073783
2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 114325955
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304375
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide (CID 47110866) is 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is MVOZDHGVHUWVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-16-13(19)10-17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3,(H,16,19).
What are the key properties of 2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(3-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-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 47110866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).