4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one

C14H17FN2O2 — CID 24715869

IUPAC4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
SMILESCC(=O)N1CCN(c2cc(C)ccc2F)C(=O)C1C
InChIInChI=1S/C14H17FN2O2/c1-9-4-5-12(15)13(8-9)17-7-6-16(11(3)18)10(2)14(17)19/h4-5,8,10H,6-7H2,1-3H3
InChIKeyLPVGFPKTYDFFCD-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.72
Rot. Bonds1

About 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one

4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one (PubChem CID 24715869) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
PubChem CID24715869
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
SMILESCC(=O)N1CCN(c2cc(C)ccc2F)C(=O)C1C
InChIInChI=1S/C14H17FN2O2/c1-9-4-5-12(15)13(8-9)17-7-6-16(11(3)18)10(2)14(17)19/h4-5,8,10H,6-7H2,1-3H3
InChIKeyLPVGFPKTYDFFCD-UHFFFAOYSA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-5-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847448
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
1-(2-fluoro-5-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036097
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 24716399
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 93321433
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337
(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93288984
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676
1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 24716617
1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24716104
4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one
CID 46036394
1-(2,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24716392

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one (CID 24715869) is 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one is CC(=O)N1CCN(c2cc(C)ccc2F)C(=O)C1C.
What is the InChIKey of 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The InChIKey is LPVGFPKTYDFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9-4-5-12(15)13(8-9)17-7-6-16(11(3)18)10(2)14(17)19/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one has a molecular weight of 264.30 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24715869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).