6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione

C15H24F2N2O2 — CID 64872785

IUPAC6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C2CCCCC2)N(CC(F)F)C1=O
InChIInChI=1S/C15H24F2N2O2/c1-2-6-11-15(21)19(9-12(16)17)13(14(20)18-11)10-7-4-3-5-8-10/h10-13H,2-9H2,1H3,(H,18,20)
InChIKeyXDHDIAKKHFBHBI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.33
Rot. Bonds5

About 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione

6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione (PubChem CID 64872785) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione
PubChem CID64872785
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C2CCCCC2)N(CC(F)F)C1=O
InChIInChI=1S/C15H24F2N2O2/c1-2-6-11-15(21)19(9-12(16)17)13(14(20)18-11)10-7-4-3-5-8-10/h10-13H,2-9H2,1H3,(H,18,20)
InChIKeyXDHDIAKKHFBHBI-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione (CID 64872785) is 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C2CCCCC2)N(CC(F)F)C1=O.
What is the InChIKey of 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is XDHDIAKKHFBHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c1-2-6-11-15(21)19(9-12(16)17)13(14(20)18-11)10-7-4-3-5-8-10/h10-13H,2-9H2,1H3,(H,18,20).
What are the key properties of 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione?
6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 302.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).