6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione

C16H21FN2O2 — CID 64958396

IUPAC6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(C)c(F)c1
InChIInChI=1S/C16H21FN2O2/c1-5-13-15(20)18-14(9(2)3)16(21)19(13)11-7-6-10(4)12(17)8-11/h6-9,13-14H,5H2,1-4H3,(H,18,20)
InChIKeyALWDWQJDHKDVHF-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.40
Rot. Bonds3

About 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione

6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64958396) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64958396
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(C)c(F)c1
InChIInChI=1S/C16H21FN2O2/c1-5-13-15(20)18-14(9(2)3)16(21)19(13)11-7-6-10(4)12(17)8-11/h6-9,13-14H,5H2,1-4H3,(H,18,20)
InChIKeyALWDWQJDHKDVHF-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64958396) is 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(C)c(F)c1.
What is the InChIKey of 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ALWDWQJDHKDVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-5-13-15(20)18-14(9(2)3)16(21)19(13)11-7-6-10(4)12(17)8-11/h6-9,13-14H,5H2,1-4H3,(H,18,20).
What are the key properties of 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64958396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).