4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid

C10H15N3O3 — CID 154845323

IUPAC4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid
SMILESCc1nnc(N2CCC(C)(C(=O)O)CC2)o1
InChIInChI=1S/C10H15N3O3/c1-7-11-12-9(16-7)13-5-3-10(2,4-6-13)8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyVMGPBGWXFHXJJX-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.07
Rot. Bonds2

About 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid

4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 154845323) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid
PubChem CID154845323
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid
SMILESCc1nnc(N2CCC(C)(C(=O)O)CC2)o1
InChIInChI=1S/C10H15N3O3/c1-7-11-12-9(16-7)13-5-3-10(2,4-6-13)8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyVMGPBGWXFHXJJX-UHFFFAOYSA-N
XLogP1.07
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid (CID 154845323) is 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid is Cc1nnc(N2CCC(C)(C(=O)O)CC2)o1.
What is the InChIKey of 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is VMGPBGWXFHXJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-11-12-9(16-7)13-5-3-10(2,4-6-13)8(14)15/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid?
4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 154845323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).