3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one

C17H23N5O2 — CID 90642164

IUPAC3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C17H23N5O2/c1-12(2)8-16(23)22-7-3-4-13(11-22)9-15-20-17(21-24-15)14-10-18-5-6-19-14/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3
InChIKeyUWBLDWKTIZTPER-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds5

About 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one

3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 90642164) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID90642164
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C17H23N5O2/c1-12(2)8-16(23)22-7-3-4-13(11-22)9-15-20-17(21-24-15)14-10-18-5-6-19-14/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3
InChIKeyUWBLDWKTIZTPER-UHFFFAOYSA-N
XLogP2.35
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 16748785
1-(2-{1-[(3-Pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl}ethyl)pyrrolidin-2-one
CID 16187331
N,N-diethyl-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 16189206
1-(1-isobutylpiperidin-4-yl)-N-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 16190396
2-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyrazine
CID 2761145
4,4,4-Trifluoro-1-[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
CID 56945952
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine
CID 72044138
3-(Pyrazin-2-yl)-5-((1-((3,3,3-trifluoropropyl)sulfonyl)piperidin-3-yl)methyl)-1,2,4-oxadiazole
CID 86266091
2-{5-[1-(Cyclopropylmethyl)piperidin-2-YL]-1,2,4-oxadiazol-3-YL}pyrazine
CID 53191910
{2-[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}(pyrazin-2-yl)methanone
CID 53191966
Cyclopropyl{2-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]piperidino}methanone
CID 53191985
2-{2-[3-(Pyrazin-2-YL)-1,2,4-oxadiazol-5-YL]piperidin-1-YL}acetamide
CID 53192031

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one (CID 90642164) is 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is UWBLDWKTIZTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)8-16(23)22-7-3-4-13(11-22)9-15-20-17(21-24-15)14-10-18-5-6-19-14/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3.
What are the key properties of 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 90642164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).