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

C10H17N3O — CID 47010419

IUPAC2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(C)CC2)o1
InChIInChI=1S/C10H17N3O/c1-8-3-5-13(6-4-8)7-10-12-11-9(2)14-10/h8H,3-7H2,1-2H3
InChIKeyZAEYMQLZROSZFS-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.61
Rot. Bonds2

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

2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 47010419) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID47010419
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(C)CC2)o1
InChIInChI=1S/C10H17N3O/c1-8-3-5-13(6-4-8)7-10-12-11-9(2)14-10/h8H,3-7H2,1-2H3
InChIKeyZAEYMQLZROSZFS-UHFFFAOYSA-N
XLogP1.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 47010419) is 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCC(C)CC2)o1.
What is the InChIKey of 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZAEYMQLZROSZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-3-5-13(6-4-8)7-10-12-11-9(2)14-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47010419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).