1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid

C15H18FNO3 — CID 122119547

IUPAC1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO3/c1-10-6-12(15(19)20)9-17(8-10)14(18)7-11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,19,20)
InChIKeyVWHRNBPFTSKNBN-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.94
Rot. Bonds3

About 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119547) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119547
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO3/c1-10-6-12(15(19)20)9-17(8-10)14(18)7-11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,19,20)
InChIKeyVWHRNBPFTSKNBN-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119518
1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122118895
5-methyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-3-carboxylic acid
CID 122118594
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
1-[4-(4-fluorophenoxy)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118917
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117274
1-[2,2-difluoro-2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119811
1-[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118066
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid (CID 122119547) is 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is VWHRNBPFTSKNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10-6-12(15(19)20)9-17(8-10)14(18)7-11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).