N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

C22H22F2N4O3 — CID 91909906

IUPACN-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2c2noc(COc3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C22H22F2N4O3/c1-14-5-8-16(12-18(14)24)25-22(29)28-11-3-2-4-19(28)21-26-20(31-27-21)13-30-17-9-6-15(23)7-10-17/h5-10,12,19H,2-4,11,13H2,1H3,(H,25,29)
InChIKeyNPYUAJDGITYVQF-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.99
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91909906) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91909906
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2c2noc(COc3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C22H22F2N4O3/c1-14-5-8-16(12-18(14)24)25-22(29)28-11-3-2-4-19(28)21-26-20(31-27-21)13-30-17-9-6-15(23)7-10-17/h5-10,12,19H,2-4,11,13H2,1H3,(H,25,29)
InChIKeyNPYUAJDGITYVQF-UHFFFAOYSA-N
XLogP4.99
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91909906) is N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCCC2c2noc(COc3ccc(F)cc3)n2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is NPYUAJDGITYVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-14-5-8-16(12-18(14)24)25-22(29)28-11-3-2-4-19(28)21-26-20(31-27-21)13-30-17-9-6-15(23)7-10-17/h5-10,12,19H,2-4,11,13H2,1H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91909906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).