1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione

C14H13BrF2N2O2 — CID 64963383

IUPAC1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(c2c(F)cc(F)cc2Br)C1=O
InChIInChI=1S/C14H13BrF2N2O2/c1-14(7-2-3-7)13(21)19(6-11(20)18-14)12-9(15)4-8(16)5-10(12)17/h4-5,7H,2-3,6H2,1H3,(H,18,20)
InChIKeyWSCXBRCSYKQCMX-UHFFFAOYSA-N
MW359.17 g/mol
LogP2.36
Rot. Bonds2

About 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione

1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione (PubChem CID 64963383) has the molecular formula C14H13BrF2N2O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
PubChem CID64963383
Molecular FormulaC14H13BrF2N2O2
Molecular Weight359.17 g/mol
Exact Mass358.01
IUPAC Name1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(c2c(F)cc(F)cc2Br)C1=O
InChIInChI=1S/C14H13BrF2N2O2/c1-14(7-2-3-7)13(21)19(6-11(20)18-14)12-9(15)4-8(16)5-10(12)17/h4-5,7H,2-3,6H2,1H3,(H,18,20)
InChIKeyWSCXBRCSYKQCMX-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957821
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107580172
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64970712
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64958067
1-(2-bromo-6-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107604113
1-(2-bromo-4,6-difluorophenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64963254
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962108
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione (CID 64963383) is 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione is CC1(C2CC2)NC(=O)CN(c2c(F)cc(F)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The InChIKey is WSCXBRCSYKQCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O2/c1-14(7-2-3-7)13(21)19(6-11(20)18-14)12-9(15)4-8(16)5-10(12)17/h4-5,7H,2-3,6H2,1H3,(H,18,20).
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione has a molecular weight of 359.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64963383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).