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

C18H24N4O4 — CID 91909894

IUPAC2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2ccccc2)no1
InChIInChI=1S/C18H24N4O4/c1-24-11-12-25-13-16-20-17(21-26-16)15-9-5-6-10-22(15)18(23)19-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,23)
InChIKeyGDKUCNGWBQYUPI-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.99
Rot. Bonds7

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

2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 91909894) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID91909894
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2ccccc2)no1
InChIInChI=1S/C18H24N4O4/c1-24-11-12-25-13-16-20-17(21-26-16)15-9-5-6-10-22(15)18(23)19-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,23)
InChIKeyGDKUCNGWBQYUPI-UHFFFAOYSA-N
XLogP2.99
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.99
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 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide (CID 91909894) is 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide is COCCOCc1nc(C2CCCCN2C(=O)Nc2ccccc2)no1.
What is the InChIKey of 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is GDKUCNGWBQYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-24-11-12-25-13-16-20-17(21-26-16)15-9-5-6-10-22(15)18(23)19-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,23).
What are the key properties of 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide?
2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 91909894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).