4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide

C20H22N4O3S — CID 118712652

IUPAC4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC(c2nc(COc3ccccc3)no2)CC1
InChIInChI=1S/C20H22N4O3S/c25-20(21-12-15-8-11-28-14-15)24-9-6-16(7-10-24)19-22-18(23-27-19)13-26-17-4-2-1-3-5-17/h1-5,8,11,14,16H,6-7,9-10,12-13H2,(H,21,25)
InChIKeyWNTQILKVRJEGIU-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.80
Rot. Bonds6

About 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide

4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 118712652) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
PubChem CID118712652
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC(c2nc(COc3ccccc3)no2)CC1
InChIInChI=1S/C20H22N4O3S/c25-20(21-12-15-8-11-28-14-15)24-9-6-16(7-10-24)19-22-18(23-27-19)13-26-17-4-2-1-3-5-17/h1-5,8,11,14,16H,6-7,9-10,12-13H2,(H,21,25)
InChIKeyWNTQILKVRJEGIU-UHFFFAOYSA-N
XLogP3.80
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide (CID 118712652) is 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccsc1)N1CCC(c2nc(COc3ccccc3)no2)CC1.
What is the InChIKey of 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is WNTQILKVRJEGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(21-12-15-8-11-28-14-15)24-9-6-16(7-10-24)19-22-18(23-27-19)13-26-17-4-2-1-3-5-17/h1-5,8,11,14,16H,6-7,9-10,12-13H2,(H,21,25).
What are the key properties of 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 118712652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).