3-cyanoimino-3-piperidin-1-ylpropanamide

C9H14N4O — CID 124519563

IUPAC3-cyanoimino-3-piperidin-1-ylpropanamide
SMILESN#C/N=C(\CC(N)=O)N1CCCCC1
InChIInChI=1S/C9H14N4O/c10-7-12-9(6-8(11)14)13-4-2-1-3-5-13/h1-6H2,(H2,11,14)/b12-9+
InChIKeyIZPMZRHICNNTFQ-FMIVXFBMSA-N
MW194.24 g/mol
LogP0.23
Rot. Bonds2

About 3-cyanoimino-3-piperidin-1-ylpropanamide

3-cyanoimino-3-piperidin-1-ylpropanamide (PubChem CID 124519563) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-cyanoimino-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name3-cyanoimino-3-piperidin-1-ylpropanamide
PubChem CID124519563
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-cyanoimino-3-piperidin-1-ylpropanamide
SMILESN#C/N=C(\CC(N)=O)N1CCCCC1
InChIInChI=1S/C9H14N4O/c10-7-12-9(6-8(11)14)13-4-2-1-3-5-13/h1-6H2,(H2,11,14)/b12-9+
InChIKeyIZPMZRHICNNTFQ-FMIVXFBMSA-N
XLogP0.23
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyanoimino-3-piperidin-1-ylpropanamide?
The IUPAC name of 3-cyanoimino-3-piperidin-1-ylpropanamide (CID 124519563) is 3-cyanoimino-3-piperidin-1-ylpropanamide.
What is the SMILES notation for 3-cyanoimino-3-piperidin-1-ylpropanamide?
The canonical SMILES for 3-cyanoimino-3-piperidin-1-ylpropanamide is N#C/N=C(\CC(N)=O)N1CCCCC1.
What is the InChIKey of 3-cyanoimino-3-piperidin-1-ylpropanamide?
The InChIKey is IZPMZRHICNNTFQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H14N4O/c10-7-12-9(6-8(11)14)13-4-2-1-3-5-13/h1-6H2,(H2,11,14)/b12-9+.
What are the key properties of 3-cyanoimino-3-piperidin-1-ylpropanamide?
3-cyanoimino-3-piperidin-1-ylpropanamide has a molecular weight of 194.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanoimino-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 124519563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).