5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

C19H19FN2O3 — CID 120695987

IUPAC5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC(Cc3ccccc3F)CC2)cn1
InChIInChI=1S/C19H19FN2O3/c20-16-4-2-1-3-14(16)11-13-7-9-22(10-8-13)18(23)15-5-6-17(19(24)25)21-12-15/h1-6,12-13H,7-11H2,(H,24,25)
InChIKeyLIUGMGXMDKTAHX-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.01
Rot. Bonds4

About 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 120695987) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID120695987
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC(Cc3ccccc3F)CC2)cn1
InChIInChI=1S/C19H19FN2O3/c20-16-4-2-1-3-14(16)11-13-7-9-22(10-8-13)18(23)15-5-6-17(19(24)25)21-12-15/h1-6,12-13H,7-11H2,(H,24,25)
InChIKeyLIUGMGXMDKTAHX-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

5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119139486
[6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
CID 125015399
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 70706949
1-[5-(4-benzylpiperazine-1-carbonyl)-2-pyridinyl]-2-(1-benzylpiperidin-4-yl)ethanone
CID 58073212
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086552
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one
CID 138034492

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 120695987) is 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCC(Cc3ccccc3F)CC2)cn1.
What is the InChIKey of 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is LIUGMGXMDKTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-4-2-1-3-14(16)11-13-7-9-22(10-8-13)18(23)15-5-6-17(19(24)25)21-12-15/h1-6,12-13H,7-11H2,(H,24,25).
What are the key properties of 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic 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 5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 120695987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).