[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone

C19H23FN4O — CID 109275036

IUPAC[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(NCCc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C19H23FN4O/c1-14-7-10-24(11-8-14)19(25)17-12-23-18(13-22-17)21-9-6-15-2-4-16(20)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,21,23)
InChIKeyVKLSVNBPQVYADM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.14
Rot. Bonds5

About [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone

[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109275036) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109275036
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(NCCc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C19H23FN4O/c1-14-7-10-24(11-8-14)19(25)17-12-23-18(13-22-17)21-9-6-15-2-4-16(20)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,21,23)
InChIKeyVKLSVNBPQVYADM-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275035
[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109274670
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279048
[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113349

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 109275036) is [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnc(NCCc3ccc(F)cc3)cn2)CC1.
What is the InChIKey of [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VKLSVNBPQVYADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14-7-10-24(11-8-14)19(25)17-12-23-18(13-22-17)21-9-6-15-2-4-16(20)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,21,23).
What are the key properties of [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109275036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).