N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide

C26H24N6O4 — CID 46612326

IUPACN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)c2ccco2)CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C26H24N6O4/c33-24(19-13-15-31(16-14-19)26(35)21-12-7-17-36-21)28-29-25(34)22-27-23(18-8-3-1-4-9-18)32(30-22)20-10-5-2-6-11-20/h1-12,17,19H,13-16H2,(H,28,33)(H,29,34)
InChIKeyVVFVVYYWMVCKLA-UHFFFAOYSA-N
MW484.52 g/mol
LogP2.84
Rot. Bonds5

About N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide

N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 46612326) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID46612326
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC NameN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)c2ccco2)CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C26H24N6O4/c33-24(19-13-15-31(16-14-19)26(35)21-12-7-17-36-21)28-29-25(34)22-27-23(18-8-3-1-4-9-18)32(30-22)20-10-5-2-6-11-20/h1-12,17,19H,13-16H2,(H,28,33)(H,29,34)
InChIKeyVVFVVYYWMVCKLA-UHFFFAOYSA-N
XLogP2.84
TPSA122.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 39189511
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27685627
furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91904969
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 55576324
3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide
CID 26281878
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 41375524

Frequently Asked Questions

What is the IUPAC name of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide (CID 46612326) is N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(C(=O)c2ccco2)CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is VVFVVYYWMVCKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c33-24(19-13-15-31(16-14-19)26(35)21-12-7-17-36-21)28-29-25(34)22-27-23(18-8-3-1-4-9-18)32(30-22)20-10-5-2-6-11-20/h1-12,17,19H,13-16H2,(H,28,33)(H,29,34).
What are the key properties of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide?
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 484.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 46612326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).