1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C18H23N3O3S — CID 3186454

IUPAC1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCCC1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C18H23N3O3S/c1-3-14-6-4-5-11-21(14)16(22)12-25-18-20-19-17(24-18)13-7-9-15(23-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyOBYCVYUUPSJNHG-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.63
Rot. Bonds6

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

1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 3186454) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID3186454
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCCC1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C18H23N3O3S/c1-3-14-6-4-5-11-21(14)16(22)12-25-18-20-19-17(24-18)13-7-9-15(23-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyOBYCVYUUPSJNHG-UHFFFAOYSA-N
XLogP3.63
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 3186454) is 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is CCC1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is OBYCVYUUPSJNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-14-6-4-5-11-21(14)16(22)12-25-18-20-19-17(24-18)13-7-9-15(23-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 361.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 3186454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).