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

C22H23FN4O3 — CID 91918563

IUPACN-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C22H23FN4O3/c23-18-10-4-5-11-19(18)29-15-20-25-21(26-30-20)17-9-6-12-27(14-17)22(28)24-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,24,28)
InChIKeyCMHQKBQMNWDRMS-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.88
Rot. Bonds6

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

N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91918563) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91918563
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C22H23FN4O3/c23-18-10-4-5-11-19(18)29-15-20-25-21(26-30-20)17-9-6-12-27(14-17)22(28)24-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,24,28)
InChIKeyCMHQKBQMNWDRMS-UHFFFAOYSA-N
XLogP3.88
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91918563) is N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is CMHQKBQMNWDRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-18-10-4-5-11-19(18)29-15-20-25-21(26-30-20)17-9-6-12-27(14-17)22(28)24-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,24,28).
What are the key properties of N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91918563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).