3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione

C15H19FN2O2 — CID 64958015

IUPAC3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(c2ccccc2F)C1=O
InChIInChI=1S/C15H19FN2O2/c1-4-15(5-2)14(20)18(10(3)13(19)17-15)12-9-7-6-8-11(12)16/h6-10H,4-5H2,1-3H3,(H,17,19)
InChIKeyXYPJGNQZLRKQEJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.24
Rot. Bonds3

About 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione

3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64958015) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
PubChem CID64958015
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(c2ccccc2F)C1=O
InChIInChI=1S/C15H19FN2O2/c1-4-15(5-2)14(20)18(10(3)13(19)17-15)12-9-7-6-8-11(12)16/h6-10H,4-5H2,1-3H3,(H,17,19)
InChIKeyXYPJGNQZLRKQEJ-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione (CID 64958015) is 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(c2ccccc2F)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is XYPJGNQZLRKQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-15(5-2)14(20)18(10(3)13(19)17-15)12-9-7-6-8-11(12)16/h6-10H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione?
3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64958015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).