5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one

C14H16FNO2 — CID 18715100

IUPAC5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
SMILESCC(=O)C1CCC(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c1-9(17)12-7-8-13(18)16(2)14(12)10-3-5-11(15)6-4-10/h3-6,12,14H,7-8H2,1-2H3
InChIKeyWEGICGWXVUZTKC-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.32
Rot. Bonds2

About 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one

5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one (PubChem CID 18715100) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
PubChem CID18715100
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
SMILESCC(=O)C1CCC(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c1-9(17)12-7-8-13(18)16(2)14(12)10-3-5-11(15)6-4-10/h3-6,12,14H,7-8H2,1-2H3
InChIKeyWEGICGWXVUZTKC-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-N,N-diethyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457688
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457672
2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 75538262
(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457662

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one?
The IUPAC name of 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one (CID 18715100) is 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one is CC(=O)C1CCC(=O)N(C)C1c1ccc(F)cc1.
What is the InChIKey of 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one?
The InChIKey is WEGICGWXVUZTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9(17)12-7-8-13(18)16(2)14(12)10-3-5-11(15)6-4-10/h3-6,12,14H,7-8H2,1-2H3.
What are the key properties of 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one?
5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one has a molecular weight of 249.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 18715100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).