3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione

C16H19FN2O2 — CID 64885620

IUPAC3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-2-13-15(20)18-14(11-5-6-11)16(21)19(13)9-10-3-7-12(17)8-4-10/h3-4,7-8,11,13-14H,2,5-6,9H2,1H3,(H,18,20)
InChIKeyLIEGQLYXSYLVLW-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.84
Rot. Bonds4

About 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione (PubChem CID 64885620) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
PubChem CID64885620
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-2-13-15(20)18-14(11-5-6-11)16(21)19(13)9-10-3-7-12(17)8-4-10/h3-4,7-8,11,13-14H,2,5-6,9H2,1H3,(H,18,20)
InChIKeyLIEGQLYXSYLVLW-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione (CID 64885620) is 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione?
The InChIKey is LIEGQLYXSYLVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-13-15(20)18-14(11-5-6-11)16(21)19(13)9-10-3-7-12(17)8-4-10/h3-4,7-8,11,13-14H,2,5-6,9H2,1H3,(H,18,20).
What are the key properties of 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione has a molecular weight of 290.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64885620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).