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

C15H19N3O3S — CID 91653914

IUPAC1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCc1noc(COC2CCCN(C(=O)Cc3ccsc3)C2)n1
InChIInChI=1S/C15H19N3O3S/c1-11-16-14(21-17-11)9-20-13-3-2-5-18(8-13)15(19)7-12-4-6-22-10-12/h4,6,10,13H,2-3,5,7-9H2,1H3
InChIKeyHPCQCDGWCWAASJ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.19
Rot. Bonds5

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

1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 91653914) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID91653914
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCc1noc(COC2CCCN(C(=O)Cc3ccsc3)C2)n1
InChIInChI=1S/C15H19N3O3S/c1-11-16-14(21-17-11)9-20-13-3-2-5-18(8-13)15(19)7-12-4-6-22-10-12/h4,6,10,13H,2-3,5,7-9H2,1H3
InChIKeyHPCQCDGWCWAASJ-UHFFFAOYSA-N
XLogP2.19
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95990830
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122257996
1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 100643060
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122268217
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-3-ylmethanone
CID 71687021
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-[(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97367354
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687044
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246649
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
CID 91923228

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone (CID 91653914) is 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone is Cc1noc(COC2CCCN(C(=O)Cc3ccsc3)C2)n1.
What is the InChIKey of 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is HPCQCDGWCWAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-16-14(21-17-11)9-20-13-3-2-5-18(8-13)15(19)7-12-4-6-22-10-12/h4,6,10,13H,2-3,5,7-9H2,1H3.
What are the key properties of 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 321.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 91653914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).