(3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

C11H19FN4O2 — CID 139353557

IUPAC(3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2=CNCC(N)N2)C[C@H]1F
InChIInChI=1S/C11H19FN4O2/c1-18-9-2-3-16(6-7(9)12)11(17)8-4-14-5-10(13)15-8/h4,7,9-10,14-15H,2-3,5-6,13H2,1H3/t7-,9+,10?/m1/s1
InChIKeyVGJPIIJIDWPUTD-IKZKJGMZSA-N
MW258.30 g/mol
LogP-1.11
Rot. Bonds2

About (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

(3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (PubChem CID 139353557) has the molecular formula C11H19FN4O2 and a molecular weight of 258.30 g/mol. Its IUPAC name is (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
PubChem CID139353557
Molecular FormulaC11H19FN4O2
Molecular Weight258.30 g/mol
Exact Mass258.15
IUPAC Name(3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2=CNCC(N)N2)C[C@H]1F
InChIInChI=1S/C11H19FN4O2/c1-18-9-2-3-16(6-7(9)12)11(17)8-4-14-5-10(13)15-8/h4,7,9-10,14-15H,2-3,5-6,13H2,1H3/t7-,9+,10?/m1/s1
InChIKeyVGJPIIJIDWPUTD-IKZKJGMZSA-N
XLogP-1.11
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The IUPAC name of (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (CID 139353557) is (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is CO[C@H]1CCN(C(=O)C2=CNCC(N)N2)C[C@H]1F.
What is the InChIKey of (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The InChIKey is VGJPIIJIDWPUTD-IKZKJGMZSA-N. The full InChI is InChI=1S/C11H19FN4O2/c1-18-9-2-3-16(6-7(9)12)11(17)8-4-14-5-10(13)15-8/h4,7,9-10,14-15H,2-3,5-6,13H2,1H3/t7-,9+,10?/m1/s1.
What are the key properties of (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
(3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone has a molecular weight of 258.30 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,3,4-tetrahydropyrazin-5-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 139353557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).