3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione

C16H19FN2O2 — CID 80696289

IUPAC3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)C(c2ccccc2)N(CCF)C1=O
InChIInChI=1S/C16H19FN2O2/c1-16(12-7-8-12)15(21)19(10-9-17)13(14(20)18-16)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,20)
InChIKeyBIEWHTTWWNXAMG-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.82
Rot. Bonds4

About 3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione

3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione (PubChem CID 80696289) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
PubChem CID80696289
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)C(c2ccccc2)N(CCF)C1=O
InChIInChI=1S/C16H19FN2O2/c1-16(12-7-8-12)15(21)19(10-9-17)13(14(20)18-16)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,20)
InChIKeyBIEWHTTWWNXAMG-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione (CID 80696289) is 3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione is CC1(C2CC2)NC(=O)C(c2ccccc2)N(CCF)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione?
The InChIKey is BIEWHTTWWNXAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-16(12-7-8-12)15(21)19(10-9-17)13(14(20)18-16)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione?
3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione has a molecular weight of 290.34 g/mol, XLogP of 1.82, 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-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 80696289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).