4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one

C14H15F3N2O2 — CID 24715844

IUPAC4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C(=O)C1C
InChIInChI=1S/C14H15F3N2O2/c1-9-13(21)19(7-6-18(9)10(2)20)12-5-3-4-11(8-12)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3
InChIKeyWHNFJWZUEXOJIP-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.29
Rot. Bonds1

About 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one

4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one (PubChem CID 24715844) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
PubChem CID24715844
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C(=O)C1C
InChIInChI=1S/C14H15F3N2O2/c1-9-13(21)19(7-6-18(9)10(2)20)12-5-3-4-11(8-12)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3
InChIKeyWHNFJWZUEXOJIP-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one (CID 24715844) is 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one is CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C(=O)C1C.
What is the InChIKey of 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The InChIKey is WHNFJWZUEXOJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-9-13(21)19(7-6-18(9)10(2)20)12-5-3-4-11(8-12)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one has a molecular weight of 300.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 24715844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).