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

C11H17N3O3 — CID 107072051

IUPAC3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1noc(CN2CCCC(C)C2C(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-7-4-3-5-14(10(7)11(15)16)6-9-12-8(2)13-17-9/h7,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyOJNFFQHHRHVOFV-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.06
Rot. Bonds3

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

3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 107072051) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
PubChem CID107072051
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1noc(CN2CCCC(C)C2C(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-7-4-3-5-14(10(7)11(15)16)6-9-12-8(2)13-17-9/h7,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyOJNFFQHHRHVOFV-UHFFFAOYSA-N
XLogP1.06
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid (CID 107072051) is 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid is Cc1noc(CN2CCCC(C)C2C(=O)O)n1.
What is the InChIKey of 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is OJNFFQHHRHVOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-4-3-5-14(10(7)11(15)16)6-9-12-8(2)13-17-9/h7,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid?
3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).