3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione

C15H19FN2O2 — CID 64902816

IUPAC3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-4-12-13(19)18(15(2,3)14(20)17-12)9-10-6-5-7-11(16)8-10/h5-8,12H,4,9H2,1-3H3,(H,17,20)
InChIKeyOCVDRDXLONLBCY-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.84
Rot. Bonds3

About 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione

3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione (PubChem CID 64902816) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
PubChem CID64902816
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-4-12-13(19)18(15(2,3)14(20)17-12)9-10-6-5-7-11(16)8-10/h5-8,12H,4,9H2,1-3H3,(H,17,20)
InChIKeyOCVDRDXLONLBCY-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione (CID 64902816) is 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(Cc2cccc(F)c2)C1=O.
What is the InChIKey of 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is OCVDRDXLONLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-12-13(19)18(15(2,3)14(20)17-12)9-10-6-5-7-11(16)8-10/h5-8,12H,4,9H2,1-3H3,(H,17,20).
What are the key properties of 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64902816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).