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

C19H26N4O3 — CID 91907881

IUPAC3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN(C(=O)NCCc3ccccc3)C2)no1
InChIInChI=1S/C19H26N4O3/c1-2-25-14-17-21-18(22-26-17)16-9-6-12-23(13-16)19(24)20-11-10-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,20,24)
InChIKeyXRAXRYVDEIGOOL-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.74
Rot. Bonds7

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

3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 91907881) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID91907881
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN(C(=O)NCCc3ccccc3)C2)no1
InChIInChI=1S/C19H26N4O3/c1-2-25-14-17-21-18(22-26-17)16-9-6-12-23(13-16)19(24)20-11-10-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,20,24)
InChIKeyXRAXRYVDEIGOOL-UHFFFAOYSA-N
XLogP2.74
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 91907881) is 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is CCOCc1nc(C2CCCN(C(=O)NCCc3ccccc3)C2)no1.
What is the InChIKey of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is XRAXRYVDEIGOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-25-14-17-21-18(22-26-17)16-9-6-12-23(13-16)19(24)20-11-10-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,20,24).
What are the key properties of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 91907881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).