[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone

C22H20FN3O — CID 125002811

IUPAC[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C22H20FN3O/c23-19-7-3-5-16(13-19)20-10-9-17(15-25-20)21-8-1-2-12-26(21)22(27)18-6-4-11-24-14-18/h3-7,9-11,13-15,21H,1-2,8,12H2/t21-/m0/s1
InChIKeySNCDSWUGGGMCAT-NRFANRHFSA-N
MW361.42 g/mol
LogP4.65
Rot. Bonds3

About [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone

[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 125002811) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID125002811
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C22H20FN3O/c23-19-7-3-5-16(13-19)20-10-9-17(15-25-20)21-8-1-2-12-26(21)22(27)18-6-4-11-24-14-18/h3-7,9-11,13-15,21H,1-2,8,12H2/t21-/m0/s1
InChIKeySNCDSWUGGGMCAT-NRFANRHFSA-N
XLogP4.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 124961135
2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
CID 124995760
5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one
CID 166311536
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125009925

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 125002811) is [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is SNCDSWUGGGMCAT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-19-7-3-5-16(13-19)20-10-9-17(15-25-20)21-8-1-2-12-26(21)22(27)18-6-4-11-24-14-18/h3-7,9-11,13-15,21H,1-2,8,12H2/t21-/m0/s1.
What are the key properties of [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 361.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 125002811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).