potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide

C9H18KN2O- — CID 153349366

IUPACpotassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide
SMILESCC(=O)NCC1CCC[N-]C1.[CH3-].[K+]
InChIInChI=1S/C8H15N2O.CH3.K/c1-7(11)10-6-8-3-2-4-9-5-8;;/h8H,2-6H2,1H3,(H,10,11);1H3;/q2*-1;+1
InChIKeyITQXMMAUAKJXEU-UHFFFAOYSA-N
MW209.35 g/mol
LogP-1.64
Rot. Bonds2

About potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide

potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide (PubChem CID 153349366) has the molecular formula C9H18KN2O- and a molecular weight of 209.35 g/mol. Its IUPAC name is potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide.

Molecular Properties

Compound Namepotassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide
PubChem CID153349366
Molecular FormulaC9H18KN2O-
Molecular Weight209.35 g/mol
Exact Mass209.11
IUPAC Namepotassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide
SMILESCC(=O)NCC1CCC[N-]C1.[CH3-].[K+]
InChIInChI=1S/C8H15N2O.CH3.K/c1-7(11)10-6-8-3-2-4-9-5-8;;/h8H,2-6H2,1H3,(H,10,11);1H3;/q2*-1;+1
InChIKeyITQXMMAUAKJXEU-UHFFFAOYSA-N
XLogP-1.64
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.35
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide?
The IUPAC name of potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide (CID 153349366) is potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide.
What is the SMILES notation for potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide?
The canonical SMILES for potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide is CC(=O)NCC1CCC[N-]C1.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide?
The InChIKey is ITQXMMAUAKJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O.CH3.K/c1-7(11)10-6-8-3-2-4-9-5-8;;/h8H,2-6H2,1H3,(H,10,11);1H3;/q2*-1;+1.
What are the key properties of potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide?
potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide has a molecular weight of 209.35 g/mol, XLogP of -1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;N-(piperidin-1-id-3-ylmethyl)acetamide is sourced from PubChem (CID 153349366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).