2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide

C15H18BrN3O4 — CID 68777901

IUPAC2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(Br)c(C(=O)N2CCN(C(=O)C(N)=O)CC2C)c1
InChIInChI=1S/C15H18BrN3O4/c1-9-8-18(15(22)13(17)20)5-6-19(9)14(21)11-7-10(23-2)3-4-12(11)16/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,20)
InChIKeyWJSAISPWVZBUOE-UHFFFAOYSA-N
MW384.23 g/mol
LogP0.62
Rot. Bonds2

About 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide

2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 68777901) has the molecular formula C15H18BrN3O4 and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
PubChem CID68777901
Molecular FormulaC15H18BrN3O4
Molecular Weight384.23 g/mol
Exact Mass383.05
IUPAC Name2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(Br)c(C(=O)N2CCN(C(=O)C(N)=O)CC2C)c1
InChIInChI=1S/C15H18BrN3O4/c1-9-8-18(15(22)13(17)20)5-6-19(9)14(21)11-7-10(23-2)3-4-12(11)16/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,20)
InChIKeyWJSAISPWVZBUOE-UHFFFAOYSA-N
XLogP0.62
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621547
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 80505108
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839
[(3R)-3-aminopyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81468954
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038523
(2-bromo-5-methoxyphenyl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
CID 122151894
4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775
(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094005
2-amino-1-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 66953172
(2-bromo-5-methoxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584657
(2-bromo-5-methoxyphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114682915

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide (CID 68777901) is 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide is COc1ccc(Br)c(C(=O)N2CCN(C(=O)C(N)=O)CC2C)c1.
What is the InChIKey of 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide?
The InChIKey is WJSAISPWVZBUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O4/c1-9-8-18(15(22)13(17)20)5-6-19(9)14(21)11-7-10(23-2)3-4-12(11)16/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,20).
What are the key properties of 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide?
2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 384.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 68777901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).