3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one

C18H20F2N2O2 — CID 22678722

IUPAC3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(OCc2c(F)cccc2F)CC1
InChIInChI=1S/C18H20F2N2O2/c19-16-4-1-5-17(20)15(16)12-24-14-6-9-22(10-7-14)11-13-3-2-8-21-18(13)23/h1-5,8,14H,6-7,9-12H2,(H,21,23)
InChIKeyXXZODYNTIREVHT-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.83
Rot. Bonds5

About 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one

3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 22678722) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID22678722
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(OCc2c(F)cccc2F)CC1
InChIInChI=1S/C18H20F2N2O2/c19-16-4-1-5-17(20)15(16)12-24-14-6-9-22(10-7-14)11-13-3-2-8-21-18(13)23/h1-5,8,14H,6-7,9-12H2,(H,21,23)
InChIKeyXXZODYNTIREVHT-UHFFFAOYSA-N
XLogP2.83
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-((E)-1-Benzyloxy-3-phenyl-1-trifluoromethyl-allyl)-1H-pyridin-2-one
CID 20841537
N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylmethoxypiperidine-1-carboxamide
CID 75462276
2(1H)-Pyridinone, 3-((2E)-3-phenyl-1-(phenylmethoxy)-1-(trifluoromethyl)-2-propenyl)-
CID 6451052
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
5-(4-((benzyloxy)methyl)piperidine-1-carbonyl)pyridin-2(1H)-one
CID 49677763
N-(2-(2-fluorophenyl)-2-methoxypropyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71810608
1-Methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]pyridin-2-one
CID 75461450
1-Methyl-4-(2-phenylmorpholine-4-carbonyl)pyridin-2-one
CID 118740646
5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 42949374
N-[2-(4-fluorophenyl)oxan-4-yl]-N,2-dimethyl-6-oxo-1H-pyridine-3-carboxamide
CID 121567065
4-Phenylmethoxy-1-(piperidin-3-ylmethyl)pyridin-2-one;2,2,2-trifluoroacetic acid
CID 22050907
3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248221

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one (CID 22678722) is 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one is O=c1[nH]cccc1CN1CCC(OCc2c(F)cccc2F)CC1.
What is the InChIKey of 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is XXZODYNTIREVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-16-4-1-5-17(20)15(16)12-24-14-6-9-22(10-7-14)11-13-3-2-8-21-18(13)23/h1-5,8,14H,6-7,9-12H2,(H,21,23).
What are the key properties of 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one?
3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 334.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,6-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 22678722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).