2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone

C15H19N3O2S — CID 110628442

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC(Cc3cccs3)CC2)no1
InChIInChI=1S/C15H19N3O2S/c1-11-16-14(17-20-11)10-15(19)18-6-4-12(5-7-18)9-13-3-2-8-21-13/h2-3,8,12H,4-7,9-10H2,1H3
InChIKeyYCVIZTTUMLSQLL-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.46
Rot. Bonds4

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone

2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 110628442) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID110628442
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC(Cc3cccs3)CC2)no1
InChIInChI=1S/C15H19N3O2S/c1-11-16-14(17-20-11)10-15(19)18-6-4-12(5-7-18)9-13-3-2-8-21-13/h2-3,8,12H,4-7,9-10H2,1H3
InChIKeyYCVIZTTUMLSQLL-UHFFFAOYSA-N
XLogP2.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(4R)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129339996
1-[(4S)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129339995
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
1-[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110628515
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 91797759
2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289457
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51984855
2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289470
N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperidin-1-yl]propyl]acetamide
CID 110354371
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628471
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (CID 110628442) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCC(Cc3cccs3)CC2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is YCVIZTTUMLSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-16-14(17-20-11)10-15(19)18-6-4-12(5-7-18)9-13-3-2-8-21-13/h2-3,8,12H,4-7,9-10H2,1H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 305.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110628442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).