1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid

C16H20FNO4 — CID 75405723

IUPAC1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1F
InChIInChI=1S/C16H20FNO4/c1-22-14-4-2-11(10-13(14)17)3-5-15(19)18-8-6-12(7-9-18)16(20)21/h2,4,10,12H,3,5-9H2,1H3,(H,20,21)
InChIKeyMMOSKOSITJGVEQ-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.09
Rot. Bonds5

About 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid

1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 75405723) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
PubChem CID75405723
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1F
InChIInChI=1S/C16H20FNO4/c1-22-14-4-2-11(10-13(14)17)3-5-15(19)18-8-6-12(7-9-18)16(20)21/h2,4,10,12H,3,5-9H2,1H3,(H,20,21)
InChIKeyMMOSKOSITJGVEQ-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 51324275
3-(3-fluoro-4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119543300
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119517359
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119635594
1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000671
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 86923254
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119377861

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid (CID 75405723) is 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid is COc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1F.
What is the InChIKey of 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is MMOSKOSITJGVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-22-14-4-2-11(10-13(14)17)3-5-15(19)18-8-6-12(7-9-18)16(20)21/h2,4,10,12H,3,5-9H2,1H3,(H,20,21).
What are the key properties of 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 75405723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).