1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione

C14H17FN2O2 — CID 64956077

IUPAC1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(c2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9(2)6-12-14(19)17(8-13(18)16-12)11-5-3-4-10(15)7-11/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,18)
InChIKeyACPSAGANTNJSOS-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.70
Rot. Bonds3

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

1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64956077) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64956077
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(c2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9(2)6-12-14(19)17(8-13(18)16-12)11-5-3-4-10(15)7-11/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,18)
InChIKeyACPSAGANTNJSOS-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64956077) is 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is ACPSAGANTNJSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(2)6-12-14(19)17(8-13(18)16-12)11-5-3-4-10(15)7-11/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,18).
What are the key properties of 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64956077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).