3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

C20H23N3OS — CID 112815198

IUPAC3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc(CCC2CCN(Cc3noc(-c4ccsc4)n3)CC2)cc1
InChIInChI=1S/C20H23N3OS/c1-2-4-16(5-3-1)6-7-17-8-11-23(12-9-17)14-19-21-20(24-22-19)18-10-13-25-15-18/h1-5,10,13,15,17H,6-9,11-12,14H2
InChIKeyXELKKILOTKZJLJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.64
Rot. Bonds6

About 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 112815198) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID112815198
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc(CCC2CCN(Cc3noc(-c4ccsc4)n3)CC2)cc1
InChIInChI=1S/C20H23N3OS/c1-2-4-16(5-3-1)6-7-17-8-11-23(12-9-17)14-19-21-20(24-22-19)18-10-13-25-15-18/h1-5,10,13,15,17H,6-9,11-12,14H2
InChIKeyXELKKILOTKZJLJ-UHFFFAOYSA-N
XLogP4.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62654121
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 115314458
7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 75430107
N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417
[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 102789048
3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 112840492
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 103353164
(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
CID 97236214
4-chloro-2-phenyl-5-[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 112815193
3-[4-(1-benzylpiperidin-4-yl)butyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19959291
3-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 102682963

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 112815198) is 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is c1ccc(CCC2CCN(Cc3noc(-c4ccsc4)n3)CC2)cc1.
What is the InChIKey of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is XELKKILOTKZJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-2-4-16(5-3-1)6-7-17-8-11-23(12-9-17)14-19-21-20(24-22-19)18-10-13-25-15-18/h1-5,10,13,15,17H,6-9,11-12,14H2.
What are the key properties of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 353.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 112815198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).