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

C20H25FN4O2 — CID 90641345

IUPACN-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C20H25FN4O2/c21-17-10-4-3-9-16(17)19-23-18(27-24-19)12-14-6-5-11-25(13-14)20(26)22-15-7-1-2-8-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2,(H,22,26)
InChIKeyMLBGXKGKGFXHJL-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.78
Rot. Bonds4

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

N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide (PubChem CID 90641345) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
PubChem CID90641345
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C20H25FN4O2/c21-17-10-4-3-9-16(17)19-23-18(27-24-19)12-14-6-5-11-25(13-14)20(26)22-15-7-1-2-8-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2,(H,22,26)
InChIKeyMLBGXKGKGFXHJL-UHFFFAOYSA-N
XLogP3.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641150
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 99992448
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 99992117
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 99992437
2-(4-fluorophenoxy)-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641193
3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641335
4-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 90641233
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 99992213
1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 90641186
3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90641316
(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641217
2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641258

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide (CID 90641345) is N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1.
What is the InChIKey of N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The InChIKey is MLBGXKGKGFXHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-17-10-4-3-9-16(17)19-23-18(27-24-19)12-14-6-5-11-25(13-14)20(26)22-15-7-1-2-8-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2,(H,22,26).
What are the key properties of N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90641345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).