3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione

C12H21FN2O2 — CID 81114569

IUPAC3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCCF
InChIInChI=1S/C12H21FN2O2/c1-3-6-10-11(16)14-9(4-2)12(17)15(10)8-5-7-13/h9-10H,3-8H2,1-2H3,(H,14,16)
InChIKeyACJZFNWFTJXMPY-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.25
Rot. Bonds6

About 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione

3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione (PubChem CID 81114569) has the molecular formula C12H21FN2O2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
PubChem CID81114569
Molecular FormulaC12H21FN2O2
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC Name3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCCF
InChIInChI=1S/C12H21FN2O2/c1-3-6-10-11(16)14-9(4-2)12(17)15(10)8-5-7-13/h9-10H,3-8H2,1-2H3,(H,14,16)
InChIKeyACJZFNWFTJXMPY-UHFFFAOYSA-N
XLogP1.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81113020
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64903177
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
CID 64901503
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
CID 114532473

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione (CID 81114569) is 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC)C(=O)N1CCCF.
What is the InChIKey of 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione?
The InChIKey is ACJZFNWFTJXMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O2/c1-3-6-10-11(16)14-9(4-2)12(17)15(10)8-5-7-13/h9-10H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione?
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione has a molecular weight of 244.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 81114569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).