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

C22H26N4O3S — CID 53167034

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1)c1cccs1
InChIInChI=1S/C22H26N4O3S/c1-3-18(19-5-4-14-30-19)23-20(27)15-10-12-26(13-11-15)22-25-24-21(29-22)16-6-8-17(28-2)9-7-16/h4-9,14-15,18H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyJRAYSWMJLHMWTJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.29
Rot. Bonds7

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

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 53167034) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
PubChem CID53167034
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1)c1cccs1
InChIInChI=1S/C22H26N4O3S/c1-3-18(19-5-4-14-30-19)23-20(27)15-10-12-26(13-11-15)22-25-24-21(29-22)16-6-8-17(28-2)9-7-16/h4-9,14-15,18H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyJRAYSWMJLHMWTJ-UHFFFAOYSA-N
XLogP4.29
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide (CID 53167034) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide is CCC(NC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1)c1cccs1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is JRAYSWMJLHMWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-3-18(19-5-4-14-30-19)23-20(27)15-10-12-26(13-11-15)22-25-24-21(29-22)16-6-8-17(28-2)9-7-16/h4-9,14-15,18H,3,10-13H2,1-2H3,(H,23,27).
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53167034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).