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

C17H20FN3O2 — CID 22248249

IUPAC3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C17H20FN3O2/c18-14-5-1-2-6-16(14)23-12-13-4-3-9-21(10-13)11-15-17(22)20-8-7-19-15/h1-2,5-8,13H,3-4,9-12H2,(H,20,22)
InChIKeyLNPAJBSFBCGCLB-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.20
Rot. Bonds5

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

3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22248249) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22248249
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C17H20FN3O2/c18-14-5-1-2-6-16(14)23-12-13-4-3-9-21(10-13)11-15-17(22)20-8-7-19-15/h1-2,5-8,13H,3-4,9-12H2,(H,20,22)
InChIKeyLNPAJBSFBCGCLB-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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Related Compounds

3-[[3-[(2-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid
CID 22248542
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 131940472
methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate
CID 22248539
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248535
(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide
CID 126430160
(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95718011
[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95121456
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509
3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22247962
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22248249) is 3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1CN1CCCC(COc2ccccc2F)C1.
What is the InChIKey of 3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is LNPAJBSFBCGCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-5-1-2-6-16(14)23-12-13-4-3-9-21(10-13)11-15-17(22)20-8-7-19-15/h1-2,5-8,13H,3-4,9-12H2,(H,20,22).
What are the key properties of 3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[3-[(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-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22248249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).