N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

C20H22N4O3S — CID 71793536

IUPACN-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C20H22N4O3S/c1-26-17-5-3-2-4-16(17)21-18(25)12-24-9-6-14(7-10-24)19-22-23-20(27-19)15-8-11-28-13-15/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H,21,25)
InChIKeyXQPQSVNZNUYKMY-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.62
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 71793536) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID71793536
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C20H22N4O3S/c1-26-17-5-3-2-4-16(17)21-18(25)12-24-9-6-14(7-10-24)19-22-23-20(27-19)15-8-11-28-13-15/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H,21,25)
InChIKeyXQPQSVNZNUYKMY-UHFFFAOYSA-N
XLogP3.62
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (CID 71793536) is N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is COc1ccccc1NC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is XQPQSVNZNUYKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-26-17-5-3-2-4-16(17)21-18(25)12-24-9-6-14(7-10-24)19-22-23-20(27-19)15-8-11-28-13-15/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H,21,25).
What are the key properties of N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 71793536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).