(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

C13H19FN4O2 — CID 121261843

IUPAC(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)c2cnc(N)cn2)C[C@H]1F
InChIInChI=1S/C13H19FN4O2/c1-8(2)20-11-3-4-18(7-9(11)14)13(19)10-5-17-12(15)6-16-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,15,17)/t9-,11+/m1/s1
InChIKeyFLHGGQNKJWUQIY-KOLCDFICSA-N
MW282.32 g/mol
LogP1.04
Rot. Bonds3

About (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 121261843) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID121261843
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)c2cnc(N)cn2)C[C@H]1F
InChIInChI=1S/C13H19FN4O2/c1-8(2)20-11-3-4-18(7-9(11)14)13(19)10-5-17-12(15)6-16-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,15,17)/t9-,11+/m1/s1
InChIKeyFLHGGQNKJWUQIY-KOLCDFICSA-N
XLogP1.04
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 121261823
1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261768
(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525351
(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 140709129
N-[3-[1-(5-propan-2-yloxypyrazine-2-carbonyl)pyrrolidin-3-yl]cyclobutyl]acetamide
CID 166354866
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
(4-amino-5-cyclooctylpyrazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525335
(5-aminopyrazin-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 107375502
(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 135291751
[6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 154770666
1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 144819043
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376688

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 121261843) is (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)c2cnc(N)cn2)C[C@H]1F.
What is the InChIKey of (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is FLHGGQNKJWUQIY-KOLCDFICSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-8(2)20-11-3-4-18(7-9(11)14)13(19)10-5-17-12(15)6-16-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,15,17)/t9-,11+/m1/s1.
What are the key properties of (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 282.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 121261843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).