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

C20H21FN4O2S — CID 53152390

IUPACN-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)c(F)c1
InChIInChI=1S/C20H21FN4O2S/c1-13-4-5-16(15(21)11-13)22-18(26)12-25-8-6-14(7-9-25)20-23-19(24-27-20)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,26)
InChIKeyAXRYZPQNODHNNT-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.06
Rot. Bonds5

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

N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 53152390) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
PubChem CID53152390
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)c(F)c1
InChIInChI=1S/C20H21FN4O2S/c1-13-4-5-16(15(21)11-13)22-18(26)12-25-8-6-14(7-9-25)20-23-19(24-27-20)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,26)
InChIKeyAXRYZPQNODHNNT-UHFFFAOYSA-N
XLogP4.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (CID 53152390) is N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is AXRYZPQNODHNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-13-4-5-16(15(21)11-13)22-18(26)12-25-8-6-14(7-9-25)20-23-19(24-27-20)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,26).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 53152390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).