5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole

C14H19N3OS — CID 81046211

IUPAC5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC(Cc1nc(-c2cccs2)no1)C1CCCNC1
InChIInChI=1S/C14H19N3OS/c1-10(11-4-2-6-15-9-11)8-13-16-14(17-18-13)12-5-3-7-19-12/h3,5,7,10-11,15H,2,4,6,8-9H2,1H3
InChIKeyPHEZRRWCVDPXNF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.98
Rot. Bonds4

About 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 81046211) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID81046211
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC(Cc1nc(-c2cccs2)no1)C1CCCNC1
InChIInChI=1S/C14H19N3OS/c1-10(11-4-2-6-15-9-11)8-13-16-14(17-18-13)12-5-3-7-19-12/h3,5,7,10-11,15H,2,4,6,8-9H2,1H3
InChIKeyPHEZRRWCVDPXNF-UHFFFAOYSA-N
XLogP2.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
CID 81046969
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347362
N-piperidin-3-yl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119429004
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
CID 119947686
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81047095
3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81046287
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 81046211) is 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole is CC(Cc1nc(-c2cccs2)no1)C1CCCNC1.
What is the InChIKey of 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is PHEZRRWCVDPXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(11-4-2-6-15-9-11)8-13-16-14(17-18-13)12-5-3-7-19-12/h3,5,7,10-11,15H,2,4,6,8-9H2,1H3.
What are the key properties of 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 277.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 81046211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).