2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole

C9H15N3O — CID 22017598

IUPAC2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(CC2CCNCC2)o1
InChIInChI=1S/C9H15N3O/c1-7-11-12-9(13-7)6-8-2-4-10-5-3-8/h8,10H,2-6H2,1H3
InChIKeyQPBHKVUNFXUTBU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.92
Rot. Bonds2

About 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole

2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole (PubChem CID 22017598) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
PubChem CID22017598
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(CC2CCNCC2)o1
InChIInChI=1S/C9H15N3O/c1-7-11-12-9(13-7)6-8-2-4-10-5-3-8/h8,10H,2-6H2,1H3
InChIKeyQPBHKVUNFXUTBU-UHFFFAOYSA-N
XLogP0.92
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole (CID 22017598) is 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole is Cc1nnc(CC2CCNCC2)o1.
What is the InChIKey of 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is QPBHKVUNFXUTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-11-12-9(13-7)6-8-2-4-10-5-3-8/h8,10H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22017598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).