3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione

C16H18F2N2O4 — CID 167899255

IUPAC3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione
SMILESO=C1NC(C2CCOC2)C(=O)NC1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H18F2N2O4/c17-16(18)24-11-3-1-9(2-4-11)7-12-14(21)20-13(15(22)19-12)10-5-6-23-8-10/h1-4,10,12-13,16H,5-8H2,(H,19,22)(H,20,21)
InChIKeyLQVTUWJMINRJNV-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.85
Rot. Bonds5

About 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione

3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 167899255) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID167899255
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione
SMILESO=C1NC(C2CCOC2)C(=O)NC1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H18F2N2O4/c17-16(18)24-11-3-1-9(2-4-11)7-12-14(21)20-13(15(22)19-12)10-5-6-23-8-10/h1-4,10,12-13,16H,5-8H2,(H,19,22)(H,20,21)
InChIKeyLQVTUWJMINRJNV-UHFFFAOYSA-N
XLogP0.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione (CID 167899255) is 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione is O=C1NC(C2CCOC2)C(=O)NC1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is LQVTUWJMINRJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c17-16(18)24-11-3-1-9(2-4-11)7-12-14(21)20-13(15(22)19-12)10-5-6-23-8-10/h1-4,10,12-13,16H,5-8H2,(H,19,22)(H,20,21).
What are the key properties of 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione?
3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione has a molecular weight of 340.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)phenyl]methyl]-6-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 167899255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).