N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C20H19N5O4 — CID 3490558

IUPACN-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H19N5O4/c26-20(21-16-6-8-17(9-7-16)25(27)28)24-12-10-15(11-13-24)19-22-18(23-29-19)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,26)
InChIKeyOOFWRASULDFNPI-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.06
Rot. Bonds4

About N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 3490558) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID3490558
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC NameN-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H19N5O4/c26-20(21-16-6-8-17(9-7-16)25(27)28)24-12-10-15(11-13-24)19-22-18(23-29-19)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,26)
InChIKeyOOFWRASULDFNPI-UHFFFAOYSA-N
XLogP4.06
TPSA114.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 4315437
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
5-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324632
N-tert-butyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760961
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46987816
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4183406
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523
4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134049478
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
(3-methyl-4-nitrophenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53051352

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 3490558) is N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is OOFWRASULDFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c26-20(21-16-6-8-17(9-7-16)25(27)28)24-12-10-15(11-13-24)19-22-18(23-29-19)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,26).
What are the key properties of N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3490558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).