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

C14H17N3O3S — CID 107072199

IUPAC3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(Cc2nc(-c3ccsc3)no2)C1C(=O)O
InChIInChI=1S/C14H17N3O3S/c1-9-3-2-5-17(12(9)14(18)19)7-11-15-13(16-20-11)10-4-6-21-8-10/h4,6,8-9,12H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyBHLXPHUDCHXAGJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.48
Rot. Bonds4

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

3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 107072199) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
PubChem CID107072199
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(Cc2nc(-c3ccsc3)no2)C1C(=O)O
InChIInChI=1S/C14H17N3O3S/c1-9-3-2-5-17(12(9)14(18)19)7-11-15-13(16-20-11)10-4-6-21-8-10/h4,6,8-9,12H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyBHLXPHUDCHXAGJ-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-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-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

1-[(2R)-2-[(2S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95319673
N,N-dimethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 71943818
3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072051
methyl (2R)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylate
CID 79835245
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255943
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]thiomorpholin-3-yl]acetic acid
CID 66443177
N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
CID 94176772
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119916365
(3S)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 119136450
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 51223862
1-(2-methylpiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 24537574

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid (CID 107072199) is 3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid is CC1CCCN(Cc2nc(-c3ccsc3)no2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is BHLXPHUDCHXAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-3-2-5-17(12(9)14(18)19)7-11-15-13(16-20-11)10-4-6-21-8-10/h4,6,8-9,12H,2-3,5,7H2,1H3,(H,18,19).
What are the key properties of 3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid?
3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-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-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).