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

C20H22N4O2S — CID 53177891

IUPACN-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1c1nc(-c2cccs2)no1)NCc1ccccc1
InChIInChI=1S/C20H22N4O2S/c25-18(21-13-15-7-2-1-3-8-15)14-24-11-5-4-9-16(24)20-22-19(23-26-20)17-10-6-12-27-17/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,21,25)
InChIKeyDHFTWNZQEDQJRU-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.64
Rot. Bonds6

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

N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 53177891) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
PubChem CID53177891
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1c1nc(-c2cccs2)no1)NCc1ccccc1
InChIInChI=1S/C20H22N4O2S/c25-18(21-13-15-7-2-1-3-8-15)14-24-11-5-4-9-16(24)20-22-19(23-26-20)17-10-6-12-27-17/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,21,25)
InChIKeyDHFTWNZQEDQJRU-UHFFFAOYSA-N
XLogP3.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (CID 53177891) is N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is O=C(CN1CCCCC1c1nc(-c2cccs2)no1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is DHFTWNZQEDQJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-18(21-13-15-7-2-1-3-8-15)14-24-11-5-4-9-16(24)20-22-19(23-26-20)17-10-6-12-27-17/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,21,25).
What are the key properties of N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 53177891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).