3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione

C16H19FN2O2 — CID 64957444

IUPAC3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-3-13-14(20)18-16(2,10-4-5-10)15(21)19(13)12-8-6-11(17)7-9-12/h6-10,13H,3-5H2,1-2H3,(H,18,20)
InChIKeyLOPFOPJICPVYIC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.24
Rot. Bonds3

About 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione (PubChem CID 64957444) 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)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
PubChem CID64957444
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-3-13-14(20)18-16(2,10-4-5-10)15(21)19(13)12-8-6-11(17)7-9-12/h6-10,13H,3-5H2,1-2H3,(H,18,20)
InChIKeyLOPFOPJICPVYIC-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107586974
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958019
3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
CID 64972432
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 64957705
3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione
CID 79046562
3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione
CID 64960889
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione (CID 64957444) is 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is LOPFOPJICPVYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-13-14(20)18-16(2,10-4-5-10)15(21)19(13)12-8-6-11(17)7-9-12/h6-10,13H,3-5H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 290.34 g/mol, XLogP of 2.24, 3 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)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64957444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).