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

C15H18F2N2O2 — CID 64886696

IUPAC1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(c2ccccc2)C(=O)N1CC(F)F
InChIInChI=1S/C15H18F2N2O2/c1-2-6-11-14(20)18-13(10-7-4-3-5-8-10)15(21)19(11)9-12(16)17/h3-5,7-8,11-13H,2,6,9H2,1H3,(H,18,20)
InChIKeyVBCUSVSDRGTTBJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.12
Rot. Bonds5

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

1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione (PubChem CID 64886696) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione
PubChem CID64886696
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(c2ccccc2)C(=O)N1CC(F)F
InChIInChI=1S/C15H18F2N2O2/c1-2-6-11-14(20)18-13(10-7-4-3-5-8-10)15(21)19(11)9-12(16)17/h3-5,7-8,11-13H,2,6,9H2,1H3,(H,18,20)
InChIKeyVBCUSVSDRGTTBJ-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione (CID 64886696) is 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(c2ccccc2)C(=O)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione?
The InChIKey is VBCUSVSDRGTTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-2-6-11-14(20)18-13(10-7-4-3-5-8-10)15(21)19(11)9-12(16)17/h3-5,7-8,11-13H,2,6,9H2,1H3,(H,18,20).
What are the key properties of 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione?
1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione has a molecular weight of 296.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64886696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).