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

C14H17N3O3S — CID 107072602

IUPAC3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(Cc2noc(-c3cccs3)n2)C1C(=O)O
InChIInChI=1S/C14H17N3O3S/c1-9-4-2-6-17(12(9)14(18)19)8-11-15-13(20-16-11)10-5-3-7-21-10/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,18,19)
InChIKeyLVKYXAOMJISVGX-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.48
Rot. Bonds4

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

3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 107072602) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
PubChem CID107072602
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(Cc2noc(-c3cccs3)n2)C1C(=O)O
InChIInChI=1S/C14H17N3O3S/c1-9-4-2-6-17(12(9)14(18)19)8-11-15-13(20-16-11)10-5-3-7-21-10/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,18,19)
InChIKeyLVKYXAOMJISVGX-UHFFFAOYSA-N
XLogP2.48
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072214
(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131930539
3-[(2,5-dimethylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 64980601
methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
CID 47054237
3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072051
3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072199
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809560
1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63594663
5-ethyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acid
CID 62060129
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55569253
3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-2-carboxylic acid
CID 107069583

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid (CID 107072602) is 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid is CC1CCCN(Cc2noc(-c3cccs3)n2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is LVKYXAOMJISVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-4-2-6-17(12(9)14(18)19)8-11-15-13(20-16-11)10-5-3-7-21-10/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,18,19).
What are the key properties of 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid?
3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).