1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione

C15H19FN2O2 — CID 64967241

IUPAC1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCc1c(F)cccc1N1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C15H19FN2O2/c1-9(2)7-12-15(20)18(8-14(19)17-12)13-6-4-5-11(16)10(13)3/h4-6,9,12H,7-8H2,1-3H3,(H,17,19)
InChIKeyCXCXTTYSEXNSRJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.01
Rot. Bonds3

About 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64967241) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64967241
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCc1c(F)cccc1N1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C15H19FN2O2/c1-9(2)7-12-15(20)18(8-14(19)17-12)13-6-4-5-11(16)10(13)3/h4-6,9,12H,7-8H2,1-3H3,(H,17,19)
InChIKeyCXCXTTYSEXNSRJ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64967241) is 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is Cc1c(F)cccc1N1CC(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is CXCXTTYSEXNSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)7-12-15(20)18(8-14(19)17-12)13-6-4-5-11(16)10(13)3/h4-6,9,12H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64967241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).