(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid

C14H16FNO4 — CID 79034351

IUPAC(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1F
InChIInChI=1S/C14H16FNO4/c1-20-12-6-5-9(8-10(12)15)13(17)16-7-3-2-4-11(16)14(18)19/h5-6,8,11H,2-4,7H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeySUVFPIPLHXWJMC-LLVKDONJSA-N
MW281.28 g/mol
LogP1.91
Rot. Bonds3

About (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid

(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 79034351) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
PubChem CID79034351
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1F
InChIInChI=1S/C14H16FNO4/c1-20-12-6-5-9(8-10(12)15)13(17)16-7-3-2-4-11(16)14(18)19/h5-6,8,11H,2-4,7H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeySUVFPIPLHXWJMC-LLVKDONJSA-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

(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 81283582
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
[2-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63394926
3-[(2S)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688675
3-[(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688643
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
(2S)-1-(3-ethoxy-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61137975
(2S)-1-(3-cyano-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 53215729
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid (CID 79034351) is (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid is COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1F.
What is the InChIKey of (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is SUVFPIPLHXWJMC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-12-6-5-9(8-10(12)15)13(17)16-7-3-2-4-11(16)14(18)19/h5-6,8,11H,2-4,7H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid?
(2R)-1-(3-fluoro-4-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 (2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).