3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide

C18H20N6O2 — CID 72923845

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
SMILESCc1nc(C2CCCN(C(=O)Nc3ccc(-n4cccn4)cc3)C2)no1
InChIInChI=1S/C18H20N6O2/c1-13-20-17(22-26-13)14-4-2-10-23(12-14)18(25)21-15-5-7-16(8-6-15)24-11-3-9-19-24/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,21,25)
InChIKeyLYZRGEBEHZLMCJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.98
Rot. Bonds3

About 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide (PubChem CID 72923845) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
PubChem CID72923845
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
SMILESCc1nc(C2CCCN(C(=O)Nc3ccc(-n4cccn4)cc3)C2)no1
InChIInChI=1S/C18H20N6O2/c1-13-20-17(22-26-13)14-4-2-10-23(12-14)18(25)21-15-5-7-16(8-6-15)24-11-3-9-19-24/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,21,25)
InChIKeyLYZRGEBEHZLMCJ-UHFFFAOYSA-N
XLogP2.98
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 136562477
N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 118794893
(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 97436643
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146138655
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772940
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734396
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772941
[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95771104
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide (CID 72923845) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide is Cc1nc(C2CCCN(C(=O)Nc3ccc(-n4cccn4)cc3)C2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The InChIKey is LYZRGEBEHZLMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-20-17(22-26-13)14-4-2-10-23(12-14)18(25)21-15-5-7-16(8-6-15)24-11-3-9-19-24/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,21,25).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 72923845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).