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

C17H20FN3O2 — CID 22248221

IUPAC3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O2/c18-15-4-2-1-3-13(15)12-23-14-5-9-21(10-6-14)11-16-17(22)20-8-7-19-16/h1-4,7-8,14H,5-6,9-12H2,(H,20,22)
InChIKeyWUGMAMZGFWDARF-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.09
Rot. Bonds5

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

3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22248221) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22248221
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O2/c18-15-4-2-1-3-13(15)12-23-14-5-9-21(10-6-14)11-16-17(22)20-8-7-19-16/h1-4,7-8,14H,5-6,9-12H2,(H,20,22)
InChIKeyWUGMAMZGFWDARF-UHFFFAOYSA-N
XLogP2.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22248221) is 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1CN1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is WUGMAMZGFWDARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-15-4-2-1-3-13(15)12-23-14-5-9-21(10-6-14)11-16-17(22)20-8-7-19-16/h1-4,7-8,14H,5-6,9-12H2,(H,20,22).
What are the key properties of 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 317.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22248221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).