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

C18H23FN4O3 — CID 91907882

IUPAC3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN(C(=O)NCc3ccc(F)cc3)C2)no1
InChIInChI=1S/C18H23FN4O3/c1-2-25-12-16-21-17(22-26-16)14-4-3-9-23(11-14)18(24)20-10-13-5-7-15(19)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,20,24)
InChIKeyINWFKCIZNXZSOI-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.83
Rot. Bonds6

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

3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 91907882) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID91907882
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCOCc1nc(C2CCCN(C(=O)NCc3ccc(F)cc3)C2)no1
InChIInChI=1S/C18H23FN4O3/c1-2-25-12-16-21-17(22-26-16)14-4-3-9-23(11-14)18(24)20-10-13-5-7-15(19)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,20,24)
InChIKeyINWFKCIZNXZSOI-UHFFFAOYSA-N
XLogP2.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.83
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-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 91907882) is 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is CCOCc1nc(C2CCCN(C(=O)NCc3ccc(F)cc3)C2)no1.
What is the InChIKey of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is INWFKCIZNXZSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-2-25-12-16-21-17(22-26-16)14-4-3-9-23(11-14)18(24)20-10-13-5-7-15(19)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,20,24).
What are the key properties of 3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 2.83, 6 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-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91907882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).