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

C12H19N3O3 — CID 104598966

IUPAC1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCc1nnc(CN2CCCCC2(C)C(=O)O)o1
InChIInChI=1S/C12H19N3O3/c1-3-9-13-14-10(18-9)8-15-7-5-4-6-12(15,2)11(16)17/h3-8H2,1-2H3,(H,16,17)
InChIKeyOBJVNGIILDUWCC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.46
Rot. Bonds4

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

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598966) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598966
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCc1nnc(CN2CCCCC2(C)C(=O)O)o1
InChIInChI=1S/C12H19N3O3/c1-3-9-13-14-10(18-9)8-15-7-5-4-6-12(15,2)11(16)17/h3-8H2,1-2H3,(H,16,17)
InChIKeyOBJVNGIILDUWCC-UHFFFAOYSA-N
XLogP1.46
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598717
2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080112
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-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
CID 104598838
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol
CID 115825977
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
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 102845210
1-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598777

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid (CID 104598966) is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid is CCc1nnc(CN2CCCCC2(C)C(=O)O)o1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is OBJVNGIILDUWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-9-13-14-10(18-9)8-15-7-5-4-6-12(15,2)11(16)17/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid?
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).