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

C12H19N3O2S — CID 5201273

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2CC(C)CC(C)C2)o1
InChIInChI=1S/C12H19N3O2S/c1-8-4-9(2)6-15(5-8)11(16)7-18-12-14-13-10(3)17-12/h8-9H,4-7H2,1-3H3
InChIKeyZJOFWFDHYQXWDO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.97
Rot. Bonds3

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

1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 5201273) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID5201273
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2CC(C)CC(C)C2)o1
InChIInChI=1S/C12H19N3O2S/c1-8-4-9(2)6-15(5-8)11(16)7-18-12-14-13-10(3)17-12/h8-9H,4-7H2,1-3H3
InChIKeyZJOFWFDHYQXWDO-UHFFFAOYSA-N
XLogP1.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone with MolForge

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Related Compounds

2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7801673
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1084437
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 866841
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 5042030
2-[[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 43952607
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7801816
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 2155842
1-(3,5-dimethylpiperidin-1-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3917383
2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 3323670
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7458557
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7522613
2-[[4-amino-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 124718788

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 5201273) is 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2CC(C)CC(C)C2)o1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is ZJOFWFDHYQXWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-4-9(2)6-15(5-8)11(16)7-18-12-14-13-10(3)17-12/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 269.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 5201273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).