12-piperidin-1-yldodeca-2,4-dienamide

C17H30N2O — CID 87564302

IUPAC12-piperidin-1-yldodeca-2,4-dienamide
SMILESNC(=O)C=CC=CCCCCCCCN1CCCCC1
InChIInChI=1S/C17H30N2O/c18-17(20)13-9-6-4-2-1-3-5-7-10-14-19-15-11-8-12-16-19/h4,6,9,13H,1-3,5,7-8,10-12,14-16H2,(H2,18,20)
InChIKeyBYDFILGPULPEAY-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.41
Rot. Bonds10

About 12-piperidin-1-yldodeca-2,4-dienamide

12-piperidin-1-yldodeca-2,4-dienamide (PubChem CID 87564302) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 12-piperidin-1-yldodeca-2,4-dienamide.

Molecular Properties

Compound Name12-piperidin-1-yldodeca-2,4-dienamide
PubChem CID87564302
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name12-piperidin-1-yldodeca-2,4-dienamide
SMILESNC(=O)C=CC=CCCCCCCCN1CCCCC1
InChIInChI=1S/C17H30N2O/c18-17(20)13-9-6-4-2-1-3-5-7-10-14-19-15-11-8-12-16-19/h4,6,9,13H,1-3,5,7-8,10-12,14-16H2,(H2,18,20)
InChIKeyBYDFILGPULPEAY-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 12-piperidin-1-yldodeca-2,4-dienamide 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 12-piperidin-1-yldodeca-2,4-dienamide?
The IUPAC name of 12-piperidin-1-yldodeca-2,4-dienamide (CID 87564302) is 12-piperidin-1-yldodeca-2,4-dienamide.
What is the SMILES notation for 12-piperidin-1-yldodeca-2,4-dienamide?
The canonical SMILES for 12-piperidin-1-yldodeca-2,4-dienamide is NC(=O)C=CC=CCCCCCCCN1CCCCC1.
What is the InChIKey of 12-piperidin-1-yldodeca-2,4-dienamide?
The InChIKey is BYDFILGPULPEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c18-17(20)13-9-6-4-2-1-3-5-7-10-14-19-15-11-8-12-16-19/h4,6,9,13H,1-3,5,7-8,10-12,14-16H2,(H2,18,20).
What are the key properties of 12-piperidin-1-yldodeca-2,4-dienamide?
12-piperidin-1-yldodeca-2,4-dienamide has a molecular weight of 278.44 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-piperidin-1-yldodeca-2,4-dienamide is sourced from PubChem (CID 87564302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).