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

C10H15N3O3 — CID 104598887

IUPAC2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1Cc1ncon1
InChIInChI=1S/C10H15N3O3/c1-10(9(14)15)4-2-3-5-13(10)6-8-11-7-16-12-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyZZMATRDYJOCKNR-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.90
Rot. Bonds3

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

2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 104598887) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
PubChem CID104598887
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1Cc1ncon1
InChIInChI=1S/C10H15N3O3/c1-10(9(14)15)4-2-3-5-13(10)6-8-11-7-16-12-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyZZMATRDYJOCKNR-UHFFFAOYSA-N
XLogP0.90
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404494
2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
CID 104598838
2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598717
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598966
1-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598777
1-[(3-bromofuran-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 106889590
1-[(3-chloro-4-pyridinyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 113431096
2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 113431135
2-methyl-1-[(4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 104599147
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 102845210
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid (CID 104598887) is 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1Cc1ncon1.
What is the InChIKey of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is ZZMATRDYJOCKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(9(14)15)4-2-3-5-13(10)6-8-11-7-16-12-8/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid?
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104598887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).