1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid

C14H16FNO4 — CID 65432629

IUPAC1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-11-6-2-5-10(15)12(11)13(17)16-7-3-4-9(8-16)14(18)19/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyLKJIMKKQRICZEQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.77
Rot. Bonds3

About 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid

1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 65432629) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
PubChem CID65432629
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-11-6-2-5-10(15)12(11)13(17)16-7-3-4-9(8-16)14(18)19/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyLKJIMKKQRICZEQ-UHFFFAOYSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
(2-fluoro-6-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 65432499
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
1-(2-fluoro-6-methoxybenzoyl)azepane-2-carboxylic acid
CID 65433605
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
methyl (3S)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxylate
CID 103733467
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630
1-(3-bromo-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43241951
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 81483168

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid (CID 65432629) is 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid is COc1cccc(F)c1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is LKJIMKKQRICZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-11-6-2-5-10(15)12(11)13(17)16-7-3-4-9(8-16)14(18)19/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19).
What are the key properties of 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid?
1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65432629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).