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

C23H25FN4O3 — CID 91925427

IUPACN-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC(c2nc(CCOc3ccc(F)cc3)no2)C1
InChIInChI=1S/C23H25FN4O3/c24-19-8-10-20(11-9-19)30-14-12-21-26-22(31-27-21)18-7-4-13-28(16-18)23(29)25-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,25,29)
InChIKeyOLRMCUDYNXOKRS-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.92
Rot. Bonds7

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

N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 91925427) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID91925427
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC(c2nc(CCOc3ccc(F)cc3)no2)C1
InChIInChI=1S/C23H25FN4O3/c24-19-8-10-20(11-9-19)30-14-12-21-26-22(31-27-21)18-7-4-13-28(16-18)23(29)25-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,25,29)
InChIKeyOLRMCUDYNXOKRS-UHFFFAOYSA-N
XLogP3.92
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 121069773
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 52530117
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 119046043
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91920794
N-benzyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098797
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49122092
1-[(3R)-3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 100688666
(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 164636201

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 91925427) is N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCC(c2nc(CCOc3ccc(F)cc3)no2)C1.
What is the InChIKey of N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is OLRMCUDYNXOKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-19-8-10-20(11-9-19)30-14-12-21-26-22(31-27-21)18-7-4-13-28(16-18)23(29)25-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,25,29).
What are the key properties of N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91925427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).