6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione

C13H21FN2O2 — CID 81110638

IUPAC6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(CCCF)C1C1CCCCC1
InChIInChI=1S/C13H21FN2O2/c14-7-4-8-16-11(17)9-15-13(18)12(16)10-5-2-1-3-6-10/h10,12H,1-9H2,(H,15,18)
InChIKeyQWQPIGLRWLLFEG-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.25
Rot. Bonds4

About 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione

6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione (PubChem CID 81110638) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione
PubChem CID81110638
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(CCCF)C1C1CCCCC1
InChIInChI=1S/C13H21FN2O2/c14-7-4-8-16-11(17)9-15-13(18)12(16)10-5-2-1-3-6-10/h10,12H,1-9H2,(H,15,18)
InChIKeyQWQPIGLRWLLFEG-UHFFFAOYSA-N
XLogP1.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione (CID 81110638) is 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione is O=C1NCC(=O)N(CCCF)C1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The InChIKey is QWQPIGLRWLLFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c14-7-4-8-16-11(17)9-15-13(18)12(16)10-5-2-1-3-6-10/h10,12H,1-9H2,(H,15,18).
What are the key properties of 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione?
6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione has a molecular weight of 256.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(3-fluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 81110638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).