6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione

C16H21FN2O2 — CID 114349670

IUPAC6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NCC(=O)N1Cc1ccc(F)cc1C
InChIInChI=1S/C16H21FN2O2/c1-4-16(5-2)15(21)18-9-14(20)19(16)10-12-6-7-13(17)8-11(12)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21)
InChIKeyAKGIHWODKIBHJT-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.15
Rot. Bonds4

About 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione

6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 114349670) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID114349670
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NCC(=O)N1Cc1ccc(F)cc1C
InChIInChI=1S/C16H21FN2O2/c1-4-16(5-2)15(21)18-9-14(20)19(16)10-12-6-7-13(17)8-11(12)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21)
InChIKeyAKGIHWODKIBHJT-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione (CID 114349670) is 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione is CCC1(CC)C(=O)NCC(=O)N1Cc1ccc(F)cc1C.
What is the InChIKey of 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is AKGIHWODKIBHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-16(5-2)15(21)18-9-14(20)19(16)10-12-6-7-13(17)8-11(12)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21).
What are the key properties of 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione?
6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 114349670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).