2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

C11H19N3O — CID 51078850

IUPAC2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCC1CCCN(Cc2nnc(C)o2)C1
InChIInChI=1S/C11H19N3O/c1-3-10-5-4-6-14(7-10)8-11-13-12-9(2)15-11/h10H,3-8H2,1-2H3
InChIKeyFOOTUNFYTDVXMD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.00
Rot. Bonds3

About 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 51078850) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID51078850
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCC1CCCN(Cc2nnc(C)o2)C1
InChIInChI=1S/C11H19N3O/c1-3-10-5-4-6-14(7-10)8-11-13-12-9(2)15-11/h10H,3-8H2,1-2H3
InChIKeyFOOTUNFYTDVXMD-UHFFFAOYSA-N
XLogP2.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 163354661
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628366
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
2-methyl-5-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 136563569
3,5-dimethoxy-N-[[(3R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 97277347
N-[(5-methylfuran-2-yl)methyl]-3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]propanamide
CID 72939380
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055
2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94526415
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63847810
2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124730881
2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 131008545
2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96538841

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (CID 51078850) is 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is CCC1CCCN(Cc2nnc(C)o2)C1.
What is the InChIKey of 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is FOOTUNFYTDVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10-5-4-6-14(7-10)8-11-13-12-9(2)15-11/h10H,3-8H2,1-2H3.
What are the key properties of 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 51078850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).