1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione

C16H21FN2O2 — CID 64970006

IUPAC1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione
SMILESCC(Cc1ccc(F)cc1)N1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C16H21FN2O2/c1-10(9-12-5-7-13(17)8-6-12)19-11(2)14(20)18-16(3,4)15(19)21/h5-8,10-11H,9H2,1-4H3,(H,18,20)
InChIKeyZONNTGGZGNBURL-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.88
Rot. Bonds3

About 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione

1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 64970006) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID64970006
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione
SMILESCC(Cc1ccc(F)cc1)N1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C16H21FN2O2/c1-10(9-12-5-7-13(17)8-6-12)19-11(2)14(20)18-16(3,4)15(19)21/h5-8,10-11H,9H2,1-4H3,(H,18,20)
InChIKeyZONNTGGZGNBURL-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione (CID 64970006) is 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione is CC(Cc1ccc(F)cc1)N1C(=O)C(C)(C)NC(=O)C1C.
What is the InChIKey of 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is ZONNTGGZGNBURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-10(9-12-5-7-13(17)8-6-12)19-11(2)14(20)18-16(3,4)15(19)21/h5-8,10-11H,9H2,1-4H3,(H,18,20).
What are the key properties of 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione?
1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64970006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).