[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone

C15H24N4O — CID 109274331

IUPAC[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCC(C)CCNc1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H24N4O/c1-12(2)6-7-16-14-11-17-13(10-18-14)15(20)19-8-4-3-5-9-19/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyJSGKTAUGVYIFJX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.56
Rot. Bonds5

About [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone

[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 109274331) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID109274331
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCC(C)CCNc1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H24N4O/c1-12(2)6-7-16-14-11-17-13(10-18-14)15(20)19-8-4-3-5-9-19/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyJSGKTAUGVYIFJX-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286649
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
CID 109286479
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272935
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274295
4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109272937
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone (CID 109274331) is [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone is CC(C)CCNc1cnc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is JSGKTAUGVYIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)6-7-16-14-11-17-13(10-18-14)15(20)19-8-4-3-5-9-19/h10-12H,3-9H2,1-2H3,(H,16,18).
What are the key properties of [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone?
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109274331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).