3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C17H19F2N3O2 — CID 22247999

IUPAC3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(COc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H19F2N3O2/c18-13-1-2-14(19)16(9-13)24-11-12-3-7-22(8-4-12)10-15-17(23)21-6-5-20-15/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,21,23)
InChIKeyWGIHFLVGDPZDPF-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.34
Rot. Bonds5

About 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22247999) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22247999
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(COc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H19F2N3O2/c18-13-1-2-14(19)16(9-13)24-11-12-3-7-22(8-4-12)10-15-17(23)21-6-5-20-15/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,21,23)
InChIKeyWGIHFLVGDPZDPF-UHFFFAOYSA-N
XLogP2.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[(2,5-difluorophenoxy)methyl]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-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22247999) is 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1CN1CCC(COc2cc(F)ccc2F)CC1.
What is the InChIKey of 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is WGIHFLVGDPZDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c18-13-1-2-14(19)16(9-13)24-11-12-3-7-22(8-4-12)10-15-17(23)21-6-5-20-15/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,21,23).
What are the key properties of 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 335.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22247999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).