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

C13H19FN2O2 — CID 81110745

IUPAC3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCCF)C1C1CC1
InChIInChI=1S/C13H19FN2O2/c14-6-1-7-16-11(9-4-5-9)12(17)15-10(13(16)18)8-2-3-8/h8-11H,1-7H2,(H,15,17)
InChIKeyFPNVZZBEDQFQGH-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.86
Rot. Bonds5

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

3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione (PubChem CID 81110745) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione
PubChem CID81110745
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCCF)C1C1CC1
InChIInChI=1S/C13H19FN2O2/c14-6-1-7-16-11(9-4-5-9)12(17)15-10(13(16)18)8-2-3-8/h8-11H,1-7H2,(H,15,17)
InChIKeyFPNVZZBEDQFQGH-UHFFFAOYSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione (CID 81110745) is 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(CCCF)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The InChIKey is FPNVZZBEDQFQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c14-6-1-7-16-11(9-4-5-9)12(17)15-10(13(16)18)8-2-3-8/h8-11H,1-7H2,(H,15,17).
What are the key properties of 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione?
3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione has a molecular weight of 254.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 81110745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).