1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione

C15H18F2N2O2 — CID 103587706

IUPAC1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCc1cc(F)c(N2CC(=O)NC(CC(C)C)C2=O)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-8(2)4-12-15(21)19(7-14(20)18-12)13-6-10(16)9(3)5-11(13)17/h5-6,8,12H,4,7H2,1-3H3,(H,18,20)
InChIKeyYGEPRVYTISQRFM-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 103587706) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID103587706
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCc1cc(F)c(N2CC(=O)NC(CC(C)C)C2=O)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-8(2)4-12-15(21)19(7-14(20)18-12)13-6-10(16)9(3)5-11(13)17/h5-6,8,12H,4,7H2,1-3H3,(H,18,20)
InChIKeyYGEPRVYTISQRFM-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102855290
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967241
3-(2-methylpropyl)-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962082
1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64970831
1-(2,5-difluoro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 103587690
1-(2-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962057
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956077
1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961848
1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64966541
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
CID 107594321
1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959948

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 103587706) is 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is Cc1cc(F)c(N2CC(=O)NC(CC(C)C)C2=O)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is YGEPRVYTISQRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-8(2)4-12-15(21)19(7-14(20)18-12)13-6-10(16)9(3)5-11(13)17/h5-6,8,12H,4,7H2,1-3H3,(H,18,20).
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 296.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 103587706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).