N-piperidin-4-ylnitrous amide

C5H11N3O — CID 90334370

IUPACN-piperidin-4-ylnitrous amide
SMILESO=NNC1CCNCC1
InChIInChI=1S/C5H11N3O/c9-8-7-5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,9)
InChIKeyUNSJDZVAGUTNTO-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.01
Rot. Bonds2

About N-piperidin-4-ylnitrous amide

N-piperidin-4-ylnitrous amide (PubChem CID 90334370) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N-piperidin-4-ylnitrous amide.

Molecular Properties

Compound NameN-piperidin-4-ylnitrous amide
PubChem CID90334370
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN-piperidin-4-ylnitrous amide
SMILESO=NNC1CCNCC1
InChIInChI=1S/C5H11N3O/c9-8-7-5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,9)
InChIKeyUNSJDZVAGUTNTO-UHFFFAOYSA-N
XLogP0.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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 N-piperidin-4-ylnitrous amide?
The IUPAC name of N-piperidin-4-ylnitrous amide (CID 90334370) is N-piperidin-4-ylnitrous amide.
What is the SMILES notation for N-piperidin-4-ylnitrous amide?
The canonical SMILES for N-piperidin-4-ylnitrous amide is O=NNC1CCNCC1.
What is the InChIKey of N-piperidin-4-ylnitrous amide?
The InChIKey is UNSJDZVAGUTNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c9-8-7-5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,9).
What are the key properties of N-piperidin-4-ylnitrous amide?
N-piperidin-4-ylnitrous amide has a molecular weight of 129.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-ylnitrous amide is sourced from PubChem (CID 90334370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).