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

C18H21FN2O2 — CID 22678316

IUPAC3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C18H21FN2O2/c19-17-6-2-1-4-15(17)13-23-16-7-10-21(11-8-16)12-14-5-3-9-20-18(14)22/h1-6,9,16H,7-8,10-13H2,(H,20,22)
InChIKeyMPGXFDVWXROUJN-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.70
Rot. Bonds5

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

3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 22678316) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID22678316
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C18H21FN2O2/c19-17-6-2-1-4-15(17)13-23-16-7-10-21(11-8-16)12-14-5-3-9-20-18(14)22/h1-6,9,16H,7-8,10-13H2,(H,20,22)
InChIKeyMPGXFDVWXROUJN-UHFFFAOYSA-N
XLogP2.70
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one (CID 22678316) is 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one is O=c1[nH]cccc1CN1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is MPGXFDVWXROUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-17-6-2-1-4-15(17)13-23-16-7-10-21(11-8-16)12-14-5-3-9-20-18(14)22/h1-6,9,16H,7-8,10-13H2,(H,20,22).
What are the key properties of 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one?
3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 22678316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).