6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one

C18H21F2N3O2 — CID 22248301

IUPAC6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one
SMILESO=c1cncc(CCN2CCC(COc3cccc(F)c3F)CC2)[nH]1
InChIInChI=1S/C18H21F2N3O2/c19-15-2-1-3-16(18(15)20)25-12-13-4-7-23(8-5-13)9-6-14-10-21-11-17(24)22-14/h1-3,10-11,13H,4-9,12H2,(H,22,24)
InChIKeyGDAYKCSNPNHSLQ-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.38
Rot. Bonds6

About 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one

6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one (PubChem CID 22248301) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one
PubChem CID22248301
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one
SMILESO=c1cncc(CCN2CCC(COc3cccc(F)c3F)CC2)[nH]1
InChIInChI=1S/C18H21F2N3O2/c19-15-2-1-3-16(18(15)20)25-12-13-4-7-23(8-5-13)9-6-14-10-21-11-17(24)22-14/h1-3,10-11,13H,4-9,12H2,(H,22,24)
InChIKeyGDAYKCSNPNHSLQ-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 ≤ 500349.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one?
The IUPAC name of 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one (CID 22248301) is 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one?
The canonical SMILES for 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one is O=c1cncc(CCN2CCC(COc3cccc(F)c3F)CC2)[nH]1.
What is the InChIKey of 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one?
The InChIKey is GDAYKCSNPNHSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c19-15-2-1-3-16(18(15)20)25-12-13-4-7-23(8-5-13)9-6-14-10-21-11-17(24)22-14/h1-3,10-11,13H,4-9,12H2,(H,22,24).
What are the key properties of 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one?
6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one has a molecular weight of 349.38 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 6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22248301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).