1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C15H19FN2O2 — CID 105375794

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(F)cc1CN1C(=O)CNC(=O)C1C(C)C
InChIInChI=1S/C15H19FN2O2/c1-9(2)14-15(20)17-7-13(19)18(14)8-11-6-12(16)5-4-10(11)3/h4-6,9,14H,7-8H2,1-3H3,(H,17,20)
InChIKeyZPLXGVKIJGEGPQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.62
Rot. Bonds3

About 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 105375794) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID105375794
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(F)cc1CN1C(=O)CNC(=O)C1C(C)C
InChIInChI=1S/C15H19FN2O2/c1-9(2)14-15(20)17-7-13(19)18(14)8-11-6-12(16)5-4-10(11)3/h4-6,9,14H,7-8H2,1-3H3,(H,17,20)
InChIKeyZPLXGVKIJGEGPQ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 114349663
1-[(4-bromo-2-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879480
1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880063
1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880254
1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
CID 105375774
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056
1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 105375775
1-[(4-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879671
1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64957110
1-[1-(3-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965974
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106377238
3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 105375790

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 105375794) is 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is Cc1ccc(F)cc1CN1C(=O)CNC(=O)C1C(C)C.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ZPLXGVKIJGEGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)14-15(20)17-7-13(19)18(14)8-11-6-12(16)5-4-10(11)3/h4-6,9,14H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 105375794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).