4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C20H28N4O4 — CID 91909873

IUPAC4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCN(C(=O)NCCc3ccccc3)CC2)no1
InChIInChI=1S/C20H28N4O4/c1-26-13-14-27-15-18-22-19(23-28-18)17-8-11-24(12-9-17)20(25)21-10-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,21,25)
InChIKeyMAKZULOWXFBWGY-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.36
Rot. Bonds9

About 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 91909873) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID91909873
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCN(C(=O)NCCc3ccccc3)CC2)no1
InChIInChI=1S/C20H28N4O4/c1-26-13-14-27-15-18-22-19(23-28-18)17-8-11-24(12-9-17)20(25)21-10-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,21,25)
InChIKeyMAKZULOWXFBWGY-UHFFFAOYSA-N
XLogP2.36
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 91909873) is 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is COCCOCc1nc(C2CCN(C(=O)NCCc3ccccc3)CC2)no1.
What is the InChIKey of 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is MAKZULOWXFBWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-26-13-14-27-15-18-22-19(23-28-18)17-8-11-24(12-9-17)20(25)21-10-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,21,25).
What are the key properties of 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 91909873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).