5-(piperidin-1-ylmethyl)furan-2-carbohydrazide

C11H17N3O2 — CID 3621158

IUPAC5-(piperidin-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C11H17N3O2/c12-13-11(15)10-5-4-9(16-10)8-14-6-2-1-3-7-14/h4-5H,1-3,6-8,12H2,(H,13,15)
InChIKeyLOYHPTLRLLWTII-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.87
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide

5-(piperidin-1-ylmethyl)furan-2-carbohydrazide (PubChem CID 3621158) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)furan-2-carbohydrazide
PubChem CID3621158
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(piperidin-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C11H17N3O2/c12-13-11(15)10-5-4-9(16-10)8-14-6-2-1-3-7-14/h4-5H,1-3,6-8,12H2,(H,13,15)
InChIKeyLOYHPTLRLLWTII-UHFFFAOYSA-N
XLogP0.87
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The IUPAC name of 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide (CID 3621158) is 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide is NNC(=O)c1ccc(CN2CCCCC2)o1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The InChIKey is LOYHPTLRLLWTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-13-11(15)10-5-4-9(16-10)8-14-6-2-1-3-7-14/h4-5H,1-3,6-8,12H2,(H,13,15).
What are the key properties of 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
5-(piperidin-1-ylmethyl)furan-2-carbohydrazide has a molecular weight of 223.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 3621158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).