1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione

C12H12BrFN2O2 — CID 64880150

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(Cc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C12H12BrFN2O2/c1-7-12(18)16(6-11(17)15-7)5-8-4-9(13)2-3-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17)
InChIKeyUHGKJAMMAAYQHE-UHFFFAOYSA-N
MW315.14 g/mol
LogP1.44
Rot. Bonds2

About 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione

1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 64880150) has the molecular formula C12H12BrFN2O2 and a molecular weight of 315.14 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID64880150
Molecular FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
Exact Mass314.01
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(Cc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C12H12BrFN2O2/c1-7-12(18)16(6-11(17)15-7)5-8-4-9(13)2-3-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17)
InChIKeyUHGKJAMMAAYQHE-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-3-tert-butylpiperazine-2,5-dione
CID 64880408
1-[(2,3-difluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880729
1-[(2,5-difluorophenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884738
1-(4-bromo-2-ethylphenyl)-3-methylpiperazine-2,5-dione
CID 81290854
1-[(4-bromo-2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 63606616
1-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873353
1-[2-(2-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64956982
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazine-2,5-dione
CID 113456029
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 104795317
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64882185
1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione
CID 66063422
1-[(3-bromo-4-fluorophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879560

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione (CID 64880150) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(Cc2cc(Br)ccc2F)C1=O.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is UHGKJAMMAAYQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2/c1-7-12(18)16(6-11(17)15-7)5-8-4-9(13)2-3-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione?
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 315.14 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64880150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).