4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid

C19H19FN2O3 — CID 56911987

IUPAC4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2CCCN(C(=O)c3ccncc3F)C2)cc1
InChIInChI=1S/C19H19FN2O3/c20-17-11-21-8-7-16(17)18(23)22-9-1-2-14(12-22)10-13-3-5-15(6-4-13)19(24)25/h3-8,11,14H,1-2,9-10,12H2,(H,24,25)
InChIKeyIVNKXURVSKHKMK-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.01
Rot. Bonds4

About 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid

4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid (PubChem CID 56911987) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid
PubChem CID56911987
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2CCCN(C(=O)c3ccncc3F)C2)cc1
InChIInChI=1S/C19H19FN2O3/c20-17-11-21-8-7-16(17)18(23)22-9-1-2-14(12-22)10-13-3-5-15(6-4-13)19(24)25/h3-8,11,14H,1-2,9-10,12H2,(H,24,25)
InChIKeyIVNKXURVSKHKMK-UHFFFAOYSA-N
XLogP3.01
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 90650048
[3-(chloromethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64956102
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114801323
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
4-[[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]methyl]benzoic acid
CID 95721678
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid?
The IUPAC name of 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid (CID 56911987) is 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid is O=C(O)c1ccc(CC2CCCN(C(=O)c3ccncc3F)C2)cc1.
What is the InChIKey of 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid?
The InChIKey is IVNKXURVSKHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-17-11-21-8-7-16(17)18(23)22-9-1-2-14(12-22)10-13-3-5-15(6-4-13)19(24)25/h3-8,11,14H,1-2,9-10,12H2,(H,24,25).
What are the key properties of 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid?
4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid has a molecular weight of 342.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid is sourced from PubChem (CID 56911987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).