(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone

C15H24N4O2 — CID 107375356

IUPAC(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CCCC(OCC)C2)cn1
InChIInChI=1S/C15H24N4O2/c1-3-7-16-14-10-17-13(9-18-14)15(20)19-8-5-6-12(11-19)21-4-2/h9-10,12H,3-8,11H2,1-2H3,(H,16,18)
InChIKeyFOJGNTZCFUKEFD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds6

About (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone

(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone (PubChem CID 107375356) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
PubChem CID107375356
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CCCC(OCC)C2)cn1
InChIInChI=1S/C15H24N4O2/c1-3-7-16-14-10-17-13(9-18-14)15(20)19-8-5-6-12(11-19)21-4-2/h9-10,12H,3-8,11H2,1-2H3,(H,16,18)
InChIKeyFOJGNTZCFUKEFD-UHFFFAOYSA-N
XLogP1.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376688
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107373865
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376996
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375576
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone (CID 107375356) is (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone is CCCNc1cnc(C(=O)N2CCCC(OCC)C2)cn1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The InChIKey is FOJGNTZCFUKEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-7-16-14-10-17-13(9-18-14)15(20)19-8-5-6-12(11-19)21-4-2/h9-10,12H,3-8,11H2,1-2H3,(H,16,18).
What are the key properties of (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107375356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).