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

C18H22FN3O — CID 22248578

IUPAC3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C18H22FN3O/c19-16-6-2-1-5-15(16)8-7-14-4-3-11-22(12-14)13-17-18(23)21-10-9-20-17/h1-2,5-6,9-10,14H,3-4,7-8,11-13H2,(H,21,23)
InChIKeyOPDXBEUIVIVEDW-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.75
Rot. Bonds5

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

3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22248578) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22248578
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C18H22FN3O/c19-16-6-2-1-5-15(16)8-7-14-4-3-11-22(12-14)13-17-18(23)21-10-9-20-17/h1-2,5-6,9-10,14H,3-4,7-8,11-13H2,(H,21,23)
InChIKeyOPDXBEUIVIVEDW-UHFFFAOYSA-N
XLogP2.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22248578) is 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1CN1CCCC(CCc2ccccc2F)C1.
What is the InChIKey of 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is OPDXBEUIVIVEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-16-6-2-1-5-15(16)8-7-14-4-3-11-22(12-14)13-17-18(23)21-10-9-20-17/h1-2,5-6,9-10,14H,3-4,7-8,11-13H2,(H,21,23).
What are the key properties of 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 315.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22248578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).