2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

C17H19FN4O2 — CID 95823406

IUPAC2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1
InChIInChI=1S/C17H19FN4O2/c18-13-4-1-5-14(7-13)24-16-10-20-9-15(21-16)12-3-2-6-22(11-12)17(23)8-19/h1,4-5,7,9-10,12H,2-3,6,8,11,19H2/t12-/m1/s1
InChIKeyGMUBJLSEOBHHDT-GFCCVEGCSA-N
MW330.36 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95823406) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95823406
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1
InChIInChI=1S/C17H19FN4O2/c18-13-4-1-5-14(7-13)24-16-10-20-9-15(21-16)12-3-2-6-22(11-12)17(23)8-19/h1,4-5,7,9-10,12H,2-3,6,8,11,19H2/t12-/m1/s1
InChIKeyGMUBJLSEOBHHDT-GFCCVEGCSA-N
XLogP2.07
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823516
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110256442
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823156
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95823406) is 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is NCC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is GMUBJLSEOBHHDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-4-1-5-14(7-13)24-16-10-20-9-15(21-16)12-3-2-6-22(11-12)17(23)8-19/h1,4-5,7,9-10,12H,2-3,6,8,11,19H2/t12-/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 330.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95823406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).