5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide

C18H20N4O2 — CID 71159941

IUPAC5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide
SMILESCc1cccc(N2CCCCC2)c1N(N)C(=O)c1ccc(C#N)o1
InChIInChI=1S/C18H20N4O2/c1-13-6-5-7-15(21-10-3-2-4-11-21)17(13)22(20)18(23)16-9-8-14(12-19)24-16/h5-9H,2-4,10-11,20H2,1H3
InChIKeyDXVJPTARFMUVPF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.97
Rot. Bonds3

About 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide

5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide (PubChem CID 71159941) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide
PubChem CID71159941
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide
SMILESCc1cccc(N2CCCCC2)c1N(N)C(=O)c1ccc(C#N)o1
InChIInChI=1S/C18H20N4O2/c1-13-6-5-7-15(21-10-3-2-4-11-21)17(13)22(20)18(23)16-9-8-14(12-19)24-16/h5-9H,2-4,10-11,20H2,1H3
InChIKeyDXVJPTARFMUVPF-UHFFFAOYSA-N
XLogP2.97
TPSA86.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide?
The IUPAC name of 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide (CID 71159941) is 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide?
The canonical SMILES for 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide is Cc1cccc(N2CCCCC2)c1N(N)C(=O)c1ccc(C#N)o1.
What is the InChIKey of 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide?
The InChIKey is DXVJPTARFMUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-6-5-7-15(21-10-3-2-4-11-21)17(13)22(20)18(23)16-9-8-14(12-19)24-16/h5-9H,2-4,10-11,20H2,1H3.
What are the key properties of 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide?
5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide has a molecular weight of 324.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methyl-6-piperidin-1-ylphenyl)furan-2-carbohydrazide is sourced from PubChem (CID 71159941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).