[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone

C16H16FN3O2 — CID 95811364

IUPAC[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H16FN3O2/c17-12-2-1-3-14(10-12)22-13-4-8-20(9-5-13)16(21)15-11-18-6-7-19-15/h1-3,6-7,10-11,13H,4-5,8-9H2
InChIKeyLQRSLSAIXPJQHC-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.30
Rot. Bonds3

About [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone

[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95811364) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95811364
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H16FN3O2/c17-12-2-1-3-14(10-12)22-13-4-8-20(9-5-13)16(21)15-11-18-6-7-19-15/h1-3,6-7,10-11,13H,4-5,8-9H2
InChIKeyLQRSLSAIXPJQHC-UHFFFAOYSA-N
XLogP2.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]acetamide
CID 110821285
[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 141336866
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70729638
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822353
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 67168779
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 70771795
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 154761996
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95811364) is [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is LQRSLSAIXPJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-2-1-3-14(10-12)22-13-4-8-20(9-5-13)16(21)15-11-18-6-7-19-15/h1-3,6-7,10-11,13H,4-5,8-9H2.
What are the key properties of [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 301.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95811364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).