1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile

C11H15N3O — CID 18772246

IUPAC1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile
SMILESN#CC1C=CCN1C(=O)C1CCCCN1
InChIInChI=1S/C11H15N3O/c12-8-9-4-3-7-14(9)11(15)10-5-1-2-6-13-10/h3-4,9-10,13H,1-2,5-7H2
InChIKeyGLHWPWGNXJFOKD-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.42
Rot. Bonds1

About 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile

1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile (PubChem CID 18772246) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile
PubChem CID18772246
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile
SMILESN#CC1C=CCN1C(=O)C1CCCCN1
InChIInChI=1S/C11H15N3O/c12-8-9-4-3-7-14(9)11(15)10-5-1-2-6-13-10/h3-4,9-10,13H,1-2,5-7H2
InChIKeyGLHWPWGNXJFOKD-UHFFFAOYSA-N
XLogP0.42
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile 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-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile?
The IUPAC name of 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile (CID 18772246) is 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile.
What is the SMILES notation for 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile?
The canonical SMILES for 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile is N#CC1C=CCN1C(=O)C1CCCCN1.
What is the InChIKey of 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile?
The InChIKey is GLHWPWGNXJFOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-9-4-3-7-14(9)11(15)10-5-1-2-6-13-10/h3-4,9-10,13H,1-2,5-7H2.
What are the key properties of 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile?
1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-2-carbonyl)-2,5-dihydropyrrole-2-carbonitrile is sourced from PubChem (CID 18772246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).