6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione

C15H27FN2O2 — CID 81109591

IUPAC6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C(C)(C)C)N(CCCF)C1=O
InChIInChI=1S/C15H27FN2O2/c1-6-15(7-2)13(20)18(10-8-9-16)11(12(19)17-15)14(3,4)5/h11H,6-10H2,1-5H3,(H,17,19)
InChIKeyRKGYAAYZAIUUJK-UHFFFAOYSA-N
MW286.39 g/mol
LogP2.28
Rot. Bonds5

About 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione

6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione (PubChem CID 81109591) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione
PubChem CID81109591
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Name6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C(C)(C)C)N(CCCF)C1=O
InChIInChI=1S/C15H27FN2O2/c1-6-15(7-2)13(20)18(10-8-9-16)11(12(19)17-15)14(3,4)5/h11H,6-10H2,1-5H3,(H,17,19)
InChIKeyRKGYAAYZAIUUJK-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-3,3-diethyl-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 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione (CID 81109591) is 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione is CCC1(CC)NC(=O)C(C(C)(C)C)N(CCCF)C1=O.
What is the InChIKey of 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The InChIKey is RKGYAAYZAIUUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-6-15(7-2)13(20)18(10-8-9-16)11(12(19)17-15)14(3,4)5/h11H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione?
6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione has a molecular weight of 286.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,3-diethyl-1-(3-fluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 81109591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).