3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione

C15H18F2N2O2 — CID 64957982

IUPAC3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-8-13(20)18-12(15(2,3)4)14(21)19(8)11-6-5-9(16)7-10(11)17/h5-8,12H,1-4H3,(H,18,20)
InChIKeyMGYKGEXDJCVGIG-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.23
Rot. Bonds1

About 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione

3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64957982) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
PubChem CID64957982
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-8-13(20)18-12(15(2,3)4)14(21)19(8)11-6-5-9(16)7-10(11)17/h5-8,12H,1-4H3,(H,18,20)
InChIKeyMGYKGEXDJCVGIG-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione (CID 64957982) is 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccc(F)cc1F.
What is the InChIKey of 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is MGYKGEXDJCVGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-8-13(20)18-12(15(2,3)4)14(21)19(8)11-6-5-9(16)7-10(11)17/h5-8,12H,1-4H3,(H,18,20).
What are the key properties of 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione?
3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 296.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64957982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).