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

C15H17FN2O2 — CID 64957044

IUPAC3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCc2ccc(F)cc2)C(=O)C(C2CC2)N1
InChIInChI=1S/C15H17FN2O2/c16-12-5-1-10(2-6-12)7-8-18-9-13(19)17-14(15(18)20)11-3-4-11/h1-2,5-6,11,14H,3-4,7-9H2,(H,17,19)
InChIKeyFBASCCKWRHFWSU-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.11
Rot. Bonds4

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

3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione (PubChem CID 64957044) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione
PubChem CID64957044
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCc2ccc(F)cc2)C(=O)C(C2CC2)N1
InChIInChI=1S/C15H17FN2O2/c16-12-5-1-10(2-6-12)7-8-18-9-13(19)17-14(15(18)20)11-3-4-11/h1-2,5-6,11,14H,3-4,7-9H2,(H,17,19)
InChIKeyFBASCCKWRHFWSU-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione (CID 64957044) is 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione is O=C1CN(CCc2ccc(F)cc2)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione?
The InChIKey is FBASCCKWRHFWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-12-5-1-10(2-6-12)7-8-18-9-13(19)17-14(15(18)20)11-3-4-11/h1-2,5-6,11,14H,3-4,7-9H2,(H,17,19).
What are the key properties of 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione?
3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione has a molecular weight of 276.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64957044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).