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

C10H15N3O3 — CID 63125002

IUPAC4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2ncno2)CC1
InChIInChI=1S/C10H15N3O3/c1-10(9(14)15)2-4-13(5-3-10)6-8-11-7-12-16-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyMMYQHKJEBWOBAF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.76
Rot. Bonds3

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

4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 63125002) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid
PubChem CID63125002
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2ncno2)CC1
InChIInChI=1S/C10H15N3O3/c1-10(9(14)15)2-4-13(5-3-10)6-8-11-7-12-16-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyMMYQHKJEBWOBAF-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65064757
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 107044922
3-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 55166735
1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65065050
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386
1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114866930
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 55178150

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid (CID 63125002) is 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(Cc2ncno2)CC1.
What is the InChIKey of 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is MMYQHKJEBWOBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(9(14)15)2-4-13(5-3-10)6-8-11-7-12-16-8/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid?
4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).