(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

C16H17FN4O2 — CID 119133482

IUPAC(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN4O2/c17-11-1-3-12(4-2-11)23-13-5-9-21(10-6-13)16(22)14-15(18)20-8-7-19-14/h1-4,7-8,13H,5-6,9-10H2,(H2,18,20)
InChIKeyNHYLWHMNJMKUMR-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.88
Rot. Bonds3

About (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 119133482) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID119133482
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN4O2/c17-11-1-3-12(4-2-11)23-13-5-9-21(10-6-13)16(22)14-15(18)20-8-7-19-14/h1-4,7-8,13H,5-6,9-10H2,(H2,18,20)
InChIKeyNHYLWHMNJMKUMR-UHFFFAOYSA-N
XLogP1.88
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 46971656
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
(3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129475897
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020
(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119163703
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758493
(3-aminopyrazin-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 24596233
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (CID 119133482) is (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is Nc1nccnc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is NHYLWHMNJMKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-11-1-3-12(4-2-11)23-13-5-9-21(10-6-13)16(22)14-15(18)20-8-7-19-14/h1-4,7-8,13H,5-6,9-10H2,(H2,18,20).
What are the key properties of (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 316.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 119133482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).