3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione

C15H20FN3O2 — CID 66068914

IUPAC3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ccc(F)cc1C(C)NC
InChIInChI=1S/C15H20FN3O2/c1-4-12-15(21)18-14(20)8-19(12)13-6-5-10(16)7-11(13)9(2)17-3/h5-7,9,12,17H,4,8H2,1-3H3,(H,18,20,21)
InChIKeySCQMDDPBOBVXMT-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.35
Rot. Bonds4

About 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione

3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione (PubChem CID 66068914) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione
PubChem CID66068914
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ccc(F)cc1C(C)NC
InChIInChI=1S/C15H20FN3O2/c1-4-12-15(21)18-14(20)8-19(12)13-6-5-10(16)7-11(13)9(2)17-3/h5-7,9,12,17H,4,8H2,1-3H3,(H,18,20,21)
InChIKeySCQMDDPBOBVXMT-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione (CID 66068914) is 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1ccc(F)cc1C(C)NC.
What is the InChIKey of 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione?
The InChIKey is SCQMDDPBOBVXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-4-12-15(21)18-14(20)8-19(12)13-6-5-10(16)7-11(13)9(2)17-3/h5-7,9,12,17H,4,8H2,1-3H3,(H,18,20,21).
What are the key properties of 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione?
3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione has a molecular weight of 293.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione is sourced from PubChem (CID 66068914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).