1-(cyanomethyl)piperidine-3-carboxamide

C8H13N3O — CID 4128901

IUPAC1-(cyanomethyl)piperidine-3-carboxamide
SMILESN#CCN1CCCC(C(N)=O)C1
InChIInChI=1S/C8H13N3O/c9-3-5-11-4-1-2-7(6-11)8(10)12/h7H,1-2,4-6H2,(H2,10,12)
InChIKeyUSSNWAWAEPJOAO-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.29
Rot. Bonds2

About 1-(cyanomethyl)piperidine-3-carboxamide

1-(cyanomethyl)piperidine-3-carboxamide (PubChem CID 4128901) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(cyanomethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyanomethyl)piperidine-3-carboxamide
PubChem CID4128901
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(cyanomethyl)piperidine-3-carboxamide
SMILESN#CCN1CCCC(C(N)=O)C1
InChIInChI=1S/C8H13N3O/c9-3-5-11-4-1-2-7(6-11)8(10)12/h7H,1-2,4-6H2,(H2,10,12)
InChIKeyUSSNWAWAEPJOAO-UHFFFAOYSA-N
XLogP-0.29
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyanomethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyanomethyl)piperidine-3-carboxamide (CID 4128901) is 1-(cyanomethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyanomethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyanomethyl)piperidine-3-carboxamide is N#CCN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(cyanomethyl)piperidine-3-carboxamide?
The InChIKey is USSNWAWAEPJOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-3-5-11-4-1-2-7(6-11)8(10)12/h7H,1-2,4-6H2,(H2,10,12).
What are the key properties of 1-(cyanomethyl)piperidine-3-carboxamide?
1-(cyanomethyl)piperidine-3-carboxamide has a molecular weight of 167.21 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)piperidine-3-carboxamide is sourced from PubChem (CID 4128901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).