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

C22H22F2N4O3 — CID 91918570

IUPACN-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C22H22F2N4O3/c1-14-16(23)8-4-9-18(14)25-22(29)28-11-5-6-15(12-28)21-26-20(31-27-21)13-30-19-10-3-2-7-17(19)24/h2-4,7-10,15H,5-6,11-13H2,1H3,(H,25,29)
InChIKeyFLQPAEQCDGUDIF-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.65
Rot. Bonds5

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

N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91918570) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91918570
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC NameN-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C22H22F2N4O3/c1-14-16(23)8-4-9-18(14)25-22(29)28-11-5-6-15(12-28)21-26-20(31-27-21)13-30-19-10-3-2-7-17(19)24/h2-4,7-10,15H,5-6,11-13H2,1H3,(H,25,29)
InChIKeyFLQPAEQCDGUDIF-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91918570) is N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is Cc1c(F)cccc1NC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is FLQPAEQCDGUDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-14-16(23)8-4-9-18(14)25-22(29)28-11-5-6-15(12-28)21-26-20(31-27-21)13-30-19-10-3-2-7-17(19)24/h2-4,7-10,15H,5-6,11-13H2,1H3,(H,25,29).
What are the key properties of N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91918570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).