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

C14H17FN2O2 — CID 64960861

IUPAC1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9-14(19)17(10(2)13(18)16-9)7-6-11-4-3-5-12(15)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,16,18)
InChIKeyXUPHGLNUGJKBPT-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.10
Rot. Bonds3

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

1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64960861) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID64960861
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9-14(19)17(10(2)13(18)16-9)7-6-11-4-3-5-12(15)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,16,18)
InChIKeyXUPHGLNUGJKBPT-UHFFFAOYSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64960897
3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 65442474
1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955932
(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione
CID 75483628
6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 107851340
1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54972964
1-[(3-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875476
3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64960886
1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione
CID 116790839
1-[2-(3-fluorophenyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64961025

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione (CID 64960861) is 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione is CC1NC(=O)C(C)N(CCc2cccc(F)c2)C1=O.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is XUPHGLNUGJKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9-14(19)17(10(2)13(18)16-9)7-6-11-4-3-5-12(15)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64960861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).