piperidin-1-ylcyanamide

C6H11N3 — CID 83018851

IUPACpiperidin-1-ylcyanamide
SMILESN#CNN1CCCCC1
InChIInChI=1S/C6H11N3/c7-6-8-9-4-2-1-3-5-9/h8H,1-5H2
InChIKeyBMMDREQVHHKKRA-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.46
Rot. Bonds1

About piperidin-1-ylcyanamide

piperidin-1-ylcyanamide (PubChem CID 83018851) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is piperidin-1-ylcyanamide.

Molecular Properties

Compound Namepiperidin-1-ylcyanamide
PubChem CID83018851
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Namepiperidin-1-ylcyanamide
SMILESN#CNN1CCCCC1
InChIInChI=1S/C6H11N3/c7-6-8-9-4-2-1-3-5-9/h8H,1-5H2
InChIKeyBMMDREQVHHKKRA-UHFFFAOYSA-N
XLogP0.46
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylcyanamide?
The IUPAC name of piperidin-1-ylcyanamide (CID 83018851) is piperidin-1-ylcyanamide.
What is the SMILES notation for piperidin-1-ylcyanamide?
The canonical SMILES for piperidin-1-ylcyanamide is N#CNN1CCCCC1.
What is the InChIKey of piperidin-1-ylcyanamide?
The InChIKey is BMMDREQVHHKKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-6-8-9-4-2-1-3-5-9/h8H,1-5H2.
What are the key properties of piperidin-1-ylcyanamide?
piperidin-1-ylcyanamide has a molecular weight of 125.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylcyanamide is sourced from PubChem (CID 83018851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).