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

C11H17N3O3 — CID 104598717

IUPAC2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1nnc(CN2CCCCC2(C)C(=O)O)o1
InChIInChI=1S/C11H17N3O3/c1-8-12-13-9(17-8)7-14-6-4-3-5-11(14,2)10(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyDLIUMEKWCLPMRV-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.21
Rot. Bonds3

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

2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 104598717) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID104598717
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1nnc(CN2CCCCC2(C)C(=O)O)o1
InChIInChI=1S/C11H17N3O3/c1-8-12-13-9(17-8)7-14-6-4-3-5-11(14,2)10(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyDLIUMEKWCLPMRV-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598966
2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598750
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
CID 104598887
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
CID 104598838
1-[(3-bromofuran-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 106889590
2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 113431135
1-[(3-chloro-4-pyridinyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 113431096
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65071221
2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080112
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
1-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598777

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid (CID 104598717) is 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid is Cc1nnc(CN2CCCCC2(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is DLIUMEKWCLPMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-12-13-9(17-8)7-14-6-4-3-5-11(14,2)10(15)16/h3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104598717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).