1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C19H22N4O2S — CID 649105

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C19H22N4O2S/c1-12-6-5-7-13(2)23(12)17(24)11-26-19-22-21-18(25-19)15-10-20-16-9-4-3-8-14(15)16/h3-4,8-10,12-13,20H,5-7,11H2,1-2H3
InChIKeyWMZGGPQGBNBMDT-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.10
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 649105) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID649105
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C19H22N4O2S/c1-12-6-5-7-13(2)23(12)17(24)11-26-19-22-21-18(25-19)15-10-20-16-9-4-3-8-14(15)16/h3-4,8-10,12-13,20H,5-7,11H2,1-2H3
InChIKeyWMZGGPQGBNBMDT-UHFFFAOYSA-N
XLogP4.10
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 649105) is 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is CC1CCCC(C)N1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is WMZGGPQGBNBMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-6-5-7-13(2)23(12)17(24)11-26-19-22-21-18(25-19)15-10-20-16-9-4-3-8-14(15)16/h3-4,8-10,12-13,20H,5-7,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 370.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 649105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).