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

C14H16FNO4 — CID 65432630

IUPAC1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-20-11-7-4-5-9(15)12(11)13(17)16-8-3-2-6-10(16)14(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyIFFGBFOIWKMEJG-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.91
Rot. Bonds3

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

1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 65432630) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
PubChem CID65432630
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-20-11-7-4-5-9(15)12(11)13(17)16-8-3-2-6-10(16)14(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyIFFGBFOIWKMEJG-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-6-methoxybenzoyl)azepane-2-carboxylic acid
CID 65433605
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
CID 79034351
(2S)-1-(2-bromo-6-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 104939537
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
CID 65432629
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 81283582
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
(2S)-1-(2,6-difluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 82815286

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid (CID 65432630) is 1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid is COc1cccc(F)c1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is IFFGBFOIWKMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-11-7-4-5-9(15)12(11)13(17)16-8-3-2-6-10(16)14(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid?
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.91, 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-2-carboxylic acid is sourced from PubChem (CID 65432630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).