4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione

C11H12BrN3O2 — CID 104778520

IUPAC4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1ccncc1Br
InChIInChI=1S/C11H12BrN3O2/c1-11(2)10(17)14-9(16)6-15(11)8-3-4-13-5-7(8)12/h3-5H,6H2,1-2H3,(H,14,16,17)
InChIKeyHOUDZZZMVQCVBE-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.09
Rot. Bonds1

About 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione

4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 104778520) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID104778520
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1ccncc1Br
InChIInChI=1S/C11H12BrN3O2/c1-11(2)10(17)14-9(16)6-15(11)8-3-4-13-5-7(8)12/h3-5H,6H2,1-2H3,(H,14,16,17)
InChIKeyHOUDZZZMVQCVBE-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

4-(5-bromo-3-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 104531832
4-(5-bromo-4-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 114870471
4-[2-(1-aminoethyl)-4-bromophenyl]-3,3-dimethylpiperazine-2,6-dione
CID 82968256
4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine
CID 104778190
2-amino-3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzenesulfonamide
CID 115992828
4-[4-(aminomethyl)-3-bromophenyl]-3,3-dimethylpiperazine-2,6-dione
CID 107274972
4-(3-aminopyridine-4-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 105070550
3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
CID 113424129
3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 81245242
5-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carbonitrile
CID 115487756
4-[4-(hydroxymethyl)-2-methylphenyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075360
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
CID 104977557

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione (CID 104778520) is 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1ccncc1Br.
What is the InChIKey of 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is HOUDZZZMVQCVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-11(2)10(17)14-9(16)6-15(11)8-3-4-13-5-7(8)12/h3-5H,6H2,1-2H3,(H,14,16,17).
What are the key properties of 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 298.14 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-pyridinyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 104778520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).