[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone

C18H21FN4O — CID 109274295

IUPAC[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCCc2ccccc2F)cn1)N1CCCCC1
InChIInChI=1S/C18H21FN4O/c19-15-7-3-2-6-14(15)8-9-20-17-13-21-16(12-22-17)18(24)23-10-4-1-5-11-23/h2-3,6-7,12-13H,1,4-5,8-11H2,(H,20,22)
InChIKeyQUBKPMLWMNLJAP-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.90
Rot. Bonds5

About [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone

[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 109274295) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID109274295
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCCc2ccccc2F)cn1)N1CCCCC1
InChIInChI=1S/C18H21FN4O/c19-15-7-3-2-6-14(15)8-9-20-17-13-21-16(12-22-17)18(24)23-10-4-1-5-11-23/h2-3,6-7,12-13H,1,4-5,8-11H2,(H,20,22)
InChIKeyQUBKPMLWMNLJAP-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279048
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275035
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
N-cyclopropyl-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109271592
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
CID 109281425
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
(4-ethylpiperazin-1-yl)-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109278444
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
CID 109286479
1-[4-[2-[2-(2-fluorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254624
N-(4-acetylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284391

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 109274295) is [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone is O=C(c1cnc(NCCc2ccccc2F)cn1)N1CCCCC1.
What is the InChIKey of [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is QUBKPMLWMNLJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-7-3-2-6-14(15)8-9-20-17-13-21-16(12-22-17)18(24)23-10-4-1-5-11-23/h2-3,6-7,12-13H,1,4-5,8-11H2,(H,20,22).
What are the key properties of [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 328.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109274295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).