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

C19H24FN3O2 — CID 22248570

IUPAC3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCOC(Cc1ccccc1F)C1CCN(Cc2ncc[nH]c2=O)CC1
InChIInChI=1S/C19H24FN3O2/c1-25-18(12-15-4-2-3-5-16(15)20)14-6-10-23(11-7-14)13-17-19(24)22-9-8-21-17/h2-5,8-9,14,18H,6-7,10-13H2,1H3,(H,22,24)
InChIKeyVUDRDQCEDNJRDM-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.38
Rot. Bonds6

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

3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22248570) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22248570
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCOC(Cc1ccccc1F)C1CCN(Cc2ncc[nH]c2=O)CC1
InChIInChI=1S/C19H24FN3O2/c1-25-18(12-15-4-2-3-5-16(15)20)14-6-10-23(11-7-14)13-17-19(24)22-9-8-21-17/h2-5,8-9,14,18H,6-7,10-13H2,1H3,(H,22,24)
InChIKeyVUDRDQCEDNJRDM-UHFFFAOYSA-N
XLogP2.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22248570) is 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is COC(Cc1ccccc1F)C1CCN(Cc2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is VUDRDQCEDNJRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-25-18(12-15-4-2-3-5-16(15)20)14-6-10-23(11-7-14)13-17-19(24)22-9-8-21-17/h2-5,8-9,14,18H,6-7,10-13H2,1H3,(H,22,24).
What are the key properties of 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 345.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2-fluorophenyl)-1-methoxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22248570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).