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

C15H18FNO3 — CID 114421350

IUPAC1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Cc2ccc(F)cc2)C(C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c1-10-6-7-17(13(8-10)15(19)20)14(18)9-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,19,20)
InChIKeyIHAOAHRAAPYDGR-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.08
Rot. Bonds3

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

1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421350) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114421350
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Cc2ccc(F)cc2)C(C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c1-10-6-7-17(13(8-10)15(19)20)14(18)9-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,19,20)
InChIKeyIHAOAHRAAPYDGR-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-aminophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867440
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761
1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867427
1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 167778785
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid
CID 82122509
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-4-methylpiperidine-2-carboxylic acid
CID 114421740
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid (CID 114421350) is 1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)Cc2ccc(F)cc2)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is IHAOAHRAAPYDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10-6-7-17(13(8-10)15(19)20)14(18)9-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.08, 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]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).