1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C16H19N3O2S — CID 2155682

IUPAC1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCN(C(=O)CSc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H19N3O2S/c1-12-7-9-19(10-8-12)14(20)11-22-16-18-17-15(21-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyHYKLGONHGWGMNE-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.09
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 2155682) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID2155682
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCN(C(=O)CSc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H19N3O2S/c1-12-7-9-19(10-8-12)14(20)11-22-16-18-17-15(21-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyHYKLGONHGWGMNE-UHFFFAOYSA-N
XLogP3.09
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 2155682) is 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CC1CCN(C(=O)CSc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is HYKLGONHGWGMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-7-9-19(10-8-12)14(20)11-22-16-18-17-15(21-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 317.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 2155682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).