5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride

C12H16ClN3OS — CID 119947859

IUPAC5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cc(-c2noc(CC3CCNCC3)n2)cs1
InChIInChI=1S/C12H15N3OS.ClH/c1-4-13-5-2-9(1)7-11-14-12(15-16-11)10-3-6-17-8-10;/h3,6,8-9,13H,1-2,4-5,7H2;1H
InChIKeyYWSJDPASAXSMTL-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.76
Rot. Bonds3

About 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride

5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 119947859) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID119947859
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cc(-c2noc(CC3CCNCC3)n2)cs1
InChIInChI=1S/C12H15N3OS.ClH/c1-4-13-5-2-9(1)7-11-14-12(15-16-11)10-3-6-17-8-10;/h3,6,8-9,13H,1-2,4-5,7H2;1H
InChIKeyYWSJDPASAXSMTL-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride (CID 119947859) is 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride is Cl.c1cc(-c2noc(CC3CCNCC3)n2)cs1.
What is the InChIKey of 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is YWSJDPASAXSMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS.ClH/c1-4-13-5-2-9(1)7-11-14-12(15-16-11)10-3-6-17-8-10;/h3,6,8-9,13H,1-2,4-5,7H2;1H.
What are the key properties of 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride?
5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119947859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).