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

C17H18FN3O2 — CID 95821906

IUPAC1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O2/c1-12(22)21-10-2-3-13(11-21)16-17(20-9-8-19-16)23-15-6-4-14(18)5-7-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyZUHDIPBWLPYXNX-CYBMUJFWSA-N
MW315.35 g/mol
LogP3.13
Rot. Bonds3

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

1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95821906) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95821906
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O2/c1-12(22)21-10-2-3-13(11-21)16-17(20-9-8-19-16)23-15-6-4-14(18)5-7-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyZUHDIPBWLPYXNX-CYBMUJFWSA-N
XLogP3.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95821906) is 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZUHDIPBWLPYXNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12(22)21-10-2-3-13(11-21)16-17(20-9-8-19-16)23-15-6-4-14(18)5-7-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 315.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95821906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).