[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone

C20H22FN3O3 — CID 110256442

IUPAC[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1
InChIInChI=1S/C20H22FN3O3/c21-15-3-1-4-16(11-15)27-19-13-22-12-17(23-19)14-6-8-24(9-7-14)20(25)18-5-2-10-26-18/h1,3-4,11-14,18H,2,5-10H2
InChIKeyIZEUDSPPABVBFC-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.29
Rot. Bonds4

About [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110256442) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110256442
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1
InChIInChI=1S/C20H22FN3O3/c21-15-3-1-4-16(11-15)27-19-13-22-12-17(23-19)14-6-8-24(9-7-14)20(25)18-5-2-10-26-18/h1,3-4,11-14,18H,2,5-10H2
InChIKeyIZEUDSPPABVBFC-UHFFFAOYSA-N
XLogP3.29
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823156
2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823406
4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 56885496
2-(3-fluorophenoxy)-6-[(3R)-piperidin-3-yl]pyrazine
CID 124938776
[4-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110240052
1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822427
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
N-[2-(3-fluorophenoxy)ethyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301381
2-(3-fluorophenyl)-1-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124505549
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110602338
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819548
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53003963

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 110256442) is [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1.
What is the InChIKey of [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is IZEUDSPPABVBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-15-3-1-4-16(11-15)27-19-13-22-12-17(23-19)14-6-8-24(9-7-14)20(25)18-5-2-10-26-18/h1,3-4,11-14,18H,2,5-10H2.
What are the key properties of [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 371.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110256442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).