N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide

C13H17BrN4O2 — CID 64683209

IUPACN-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(N)cc2Br)CC1=O
InChIInChI=1S/C13H17BrN4O2/c1-17-4-5-18(8-13(17)20)7-12(19)16-11-3-2-9(15)6-10(11)14/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,19)
InChIKeyFNSXWHWTUXPRTR-UHFFFAOYSA-N
MW341.21 g/mol
LogP0.74
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide

N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 64683209) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
PubChem CID64683209
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC NameN-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(N)cc2Br)CC1=O
InChIInChI=1S/C13H17BrN4O2/c1-17-4-5-18(8-13(17)20)7-12(19)16-11-3-2-9(15)6-10(11)14/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,19)
InChIKeyFNSXWHWTUXPRTR-UHFFFAOYSA-N
XLogP0.74
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 43575163
N-(4-amino-2-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581094
N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681109
N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 43375514
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64680059
N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43376162
N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide
CID 102888500
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361414
1-[2-(4-amino-2-bromoanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780088
N-ethyl-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 166062321

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide (CID 64683209) is N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc(N)cc2Br)CC1=O.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is FNSXWHWTUXPRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-17-4-5-18(8-13(17)20)7-12(19)16-11-3-2-9(15)6-10(11)14/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,19).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 341.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 64683209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).