1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C15H18F2N2O2 — CID 64963921

IUPAC1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(c2cccc(F)c2F)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-8(2)7-11-15(21)19(9(3)14(20)18-11)12-6-4-5-10(16)13(12)17/h4-6,8-9,11H,7H2,1-3H3,(H,18,20)
InChIKeyXYFFJJRZVMCALO-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.23
Rot. Bonds3

About 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64963921) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64963921
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(c2cccc(F)c2F)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-8(2)7-11-15(21)19(9(3)14(20)18-11)12-6-4-5-10(16)13(12)17/h4-6,8-9,11H,7H2,1-3H3,(H,18,20)
InChIKeyXYFFJJRZVMCALO-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961786
1-(2,4-dibromophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64965232
1-(2-chloro-5-methylphenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 107640202
1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64963885
1-(2-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958027
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64963920
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967241
3-cyclopropyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957931
1-(2,6-difluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959859
6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 64968810
1-(3-chloro-2-fluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64962900

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64963921) is 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(c2cccc(F)c2F)C1=O.
What is the InChIKey of 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is XYFFJJRZVMCALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-8(2)7-11-15(21)19(9(3)14(20)18-11)12-6-4-5-10(16)13(12)17/h4-6,8-9,11H,7H2,1-3H3,(H,18,20).
What are the key properties of 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 296.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64963921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).