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

C20H18FN5O2 — CID 95822353

IUPAC[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1
InChIInChI=1S/C20H18FN5O2/c21-15-4-1-5-16(11-15)28-19-18(24-8-9-25-19)14-3-2-10-26(13-14)20(27)17-12-22-6-7-23-17/h1,4-9,11-12,14H,2-3,10,13H2/t14-/m1/s1
InChIKeyWXXLALJZYFPRQI-CQSZACIVSA-N
MW379.40 g/mol
LogP3.22
Rot. Bonds4

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

[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95822353) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95822353
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1
InChIInChI=1S/C20H18FN5O2/c21-15-4-1-5-16(11-15)28-19-18(24-8-9-25-19)14-3-2-10-26(13-14)20(27)17-12-22-6-7-23-17/h1,4-9,11-12,14H,2-3,10,13H2/t14-/m1/s1
InChIKeyWXXLALJZYFPRQI-CQSZACIVSA-N
XLogP3.22
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110256734
[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95822457
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822283
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
(2-methyl-1,3-oxazol-4-yl)-[(3S)-3-(3-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95844320
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 110149957
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95822487
1-[(3R)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822132
2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823255

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95822353) is [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1.
What is the InChIKey of [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is WXXLALJZYFPRQI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-15-4-1-5-16(11-15)28-19-18(24-8-9-25-19)14-3-2-10-26(13-14)20(27)17-12-22-6-7-23-17/h1,4-9,11-12,14H,2-3,10,13H2/t14-/m1/s1.
What are the key properties of [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 379.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95822353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).