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

C13H23FN2O2 — CID 81113360

IUPAC6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(CCCF)C1=O
InChIInChI=1S/C13H23FN2O2/c1-4-7-10-11(17)16(9-6-8-14)13(3,5-2)12(18)15-10/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyZONVDYQNUBQRER-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.64
Rot. Bonds6

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

6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 81113360) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID81113360
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Name6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(CCCF)C1=O
InChIInChI=1S/C13H23FN2O2/c1-4-7-10-11(17)16(9-6-8-14)13(3,5-2)12(18)15-10/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyZONVDYQNUBQRER-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 81113360) is 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(CC)N(CCCF)C1=O.
What is the InChIKey of 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is ZONVDYQNUBQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-4-7-10-11(17)16(9-6-8-14)13(3,5-2)12(18)15-10/h10H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione?
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 258.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 81113360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).