(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C17H17FN6O2 — CID 52508463

IUPAC(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C17H17FN6O2/c18-13-5-3-11(4-6-13)15-22-16(26-23-15)12-2-1-7-24(10-12)17(25)21-14-8-19-20-9-14/h3-6,8-9,12H,1-2,7,10H2,(H,19,20)(H,21,25)/t12-/m1/s1
InChIKeyQJSIMGCZYPKIPQ-GFCCVEGCSA-N
MW356.36 g/mol
LogP3.01
Rot. Bonds3

About (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 52508463) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID52508463
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C17H17FN6O2/c18-13-5-3-11(4-6-13)15-22-16(26-23-15)12-2-1-7-24(10-12)17(25)21-14-8-19-20-9-14/h3-6,8-9,12H,1-2,7,10H2,(H,19,20)(H,21,25)/t12-/m1/s1
InChIKeyQJSIMGCZYPKIPQ-GFCCVEGCSA-N
XLogP3.01
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 52511029
(3R)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454055
(3S)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454054
(3R)-3-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95596844
N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4258615
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47092633
(3S)-N-(3-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 51405847
(3R)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456358
(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454056
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 52508463) is (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(Nc1cn[nH]c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is QJSIMGCZYPKIPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-13-5-3-11(4-6-13)15-22-16(26-23-15)12-2-1-7-24(10-12)17(25)21-14-8-19-20-9-14/h3-6,8-9,12H,1-2,7,10H2,(H,19,20)(H,21,25)/t12-/m1/s1.
What are the key properties of (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 52508463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).