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

C15H17N3O4S — CID 119137745

IUPAC1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C15H17N3O4S/c19-13(18-8-2-1-4-10(18)15(20)21)7-6-12-16-14(17-22-12)11-5-3-9-23-11/h3,5,9-10H,1-2,4,6-8H2,(H,20,21)
InChIKeyXXARTGUUIVRLSQ-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.20
Rot. Bonds5

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

1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 119137745) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
PubChem CID119137745
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C15H17N3O4S/c19-13(18-8-2-1-4-10(18)15(20)21)7-6-12-16-14(17-22-12)11-5-3-9-23-11/h3,5,9-10H,1-2,4,6-8H2,(H,20,21)
InChIKeyXXARTGUUIVRLSQ-UHFFFAOYSA-N
XLogP2.20
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356502
1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 92606131
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119648750
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107565
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107563
1-(3-methylpiperidin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18105333
1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid
CID 119176152
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354596
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 138994959
1-[(1S)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 97081963

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid (CID 119137745) is 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)CCc1nc(-c2cccs2)no1.
What is the InChIKey of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is XXARTGUUIVRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-13(18-8-2-1-4-10(18)15(20)21)7-6-12-16-14(17-22-12)11-5-3-9-23-11/h3,5,9-10H,1-2,4,6-8H2,(H,20,21).
What are the key properties of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid?
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 335.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119137745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).