6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione

C10H15FN2O2 — CID 80697163

IUPAC6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1CCF
InChIInChI=1S/C10H15FN2O2/c1-10(7-2-3-7)9(15)12-6-8(14)13(10)5-4-11/h7H,2-6H2,1H3,(H,12,15)
InChIKeyMGSZORIRPDCLLR-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.08
Rot. Bonds3

About 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione

6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione (PubChem CID 80697163) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
PubChem CID80697163
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1CCF
InChIInChI=1S/C10H15FN2O2/c1-10(7-2-3-7)9(15)12-6-8(14)13(10)5-4-11/h7H,2-6H2,1H3,(H,12,15)
InChIKeyMGSZORIRPDCLLR-UHFFFAOYSA-N
XLogP0.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione (CID 80697163) is 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione is CC1(C2CC2)C(=O)NCC(=O)N1CCF.
What is the InChIKey of 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is MGSZORIRPDCLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-10(7-2-3-7)9(15)12-6-8(14)13(10)5-4-11/h7H,2-6H2,1H3,(H,12,15).
What are the key properties of 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione?
6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 214.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 80697163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).