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

C17H22N4O3 — CID 91907864

IUPAC3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN(C(=O)Nc3ccccc3)C2)no1
InChIInChI=1S/C17H22N4O3/c1-2-23-12-15-19-16(20-24-15)13-7-6-10-21(11-13)17(22)18-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,18,22)
InChIKeyLBSVDZWUJFMLCZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.02
Rot. Bonds5

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

3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 91907864) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID91907864
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN(C(=O)Nc3ccccc3)C2)no1
InChIInChI=1S/C17H22N4O3/c1-2-23-12-15-19-16(20-24-15)13-7-6-10-21(11-13)17(22)18-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,18,22)
InChIKeyLBSVDZWUJFMLCZ-UHFFFAOYSA-N
XLogP3.02
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.02
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-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide (CID 91907864) is 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide is CCOCc1nc(C2CCCN(C(=O)Nc3ccccc3)C2)no1.
What is the InChIKey of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is LBSVDZWUJFMLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-23-12-15-19-16(20-24-15)13-7-6-10-21(11-13)17(22)18-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,18,22).
What are the key properties of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide?
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.02, 5 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-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 91907864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).