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

C17H20FN3O2 — CID 10215095

IUPAC3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O2/c18-14-3-1-2-4-16(14)23-12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15/h1-4,7-8,13H,5-6,9-12H2,(H,20,22)
InChIKeyOAVQZQDDBNJAIE-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.20
Rot. Bonds5

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

3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 10215095) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID10215095
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O2/c18-14-3-1-2-4-16(14)23-12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15/h1-4,7-8,13H,5-6,9-12H2,(H,20,22)
InChIKeyOAVQZQDDBNJAIE-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 10215095) is 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1CN1CCC(COc2ccccc2F)CC1.
What is the InChIKey of 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is OAVQZQDDBNJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-3-1-2-4-16(14)23-12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15/h1-4,7-8,13H,5-6,9-12H2,(H,20,22).
What are the key properties of 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 317.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 10215095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).