N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide

C13H17BrN4O2 — CID 107434603

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H17BrN4O2/c1-18(2)11-4-3-8(14)5-9(11)17-13(20)10-6-16-12(19)7-15-10/h3-5,10,15H,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJULXXLUXCGGDKD-UHFFFAOYSA-N
MW341.21 g/mol
LogP0.54
Rot. Bonds3

About N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide

N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107434603) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide
PubChem CID107434603
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H17BrN4O2/c1-18(2)11-4-3-8(14)5-9(11)17-13(20)10-6-16-12(19)7-15-10/h3-5,10,15H,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJULXXLUXCGGDKD-UHFFFAOYSA-N
XLogP0.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93268970
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide
CID 107434171
N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
CID 106739102
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107436239
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66009775
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
CID 107433947
N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide
CID 107437267
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107433364
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide (CID 107434603) is N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide is CN(C)c1ccc(Br)cc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is JULXXLUXCGGDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-18(2)11-4-3-8(14)5-9(11)17-13(20)10-6-16-12(19)7-15-10/h3-5,10,15H,6-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide?
N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).