5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C18H18F2N2O2 — CID 136554321

IUPAC5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(F)c[nH]c1=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H18F2N2O2/c19-14-3-1-2-13(9-14)8-12-4-6-22(7-5-12)18(24)16-10-15(20)11-21-17(16)23/h1-3,9-12H,4-8H2,(H,21,23)
InChIKeyZPNRFLVQUATPER-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.75
Rot. Bonds3

About 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 136554321) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID136554321
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(F)c[nH]c1=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H18F2N2O2/c19-14-3-1-2-13(9-14)8-12-4-6-22(7-5-12)18(24)16-10-15(20)11-21-17(16)23/h1-3,9-12H,4-8H2,(H,21,23)
InChIKeyZPNRFLVQUATPER-UHFFFAOYSA-N
XLogP2.75
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one 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

[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369
(2-amino-5-fluoro-3-nitrophenyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 71938373
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119296749
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 136577859
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 119296735
3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 166615901
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 112843664
2,2,2-trifluoro-1-[(3S)-3-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 90117452
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 136554321) is 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc(F)c[nH]c1=O)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZPNRFLVQUATPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-14-3-1-2-13(9-14)8-12-4-6-22(7-5-12)18(24)16-10-15(20)11-21-17(16)23/h1-3,9-12H,4-8H2,(H,21,23).
What are the key properties of 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 332.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 136554321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).