N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide

C12H20N2O — CID 104941383

IUPACN-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC1CCCNC1C
InChIInChI=1S/C12H20N2O/c1-3-4-5-8-12(15)14-11-7-6-9-13-10(11)2/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyKUZZSISHBVGRBI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.38
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide

N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide (PubChem CID 104941383) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
PubChem CID104941383
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC1CCCNC1C
InChIInChI=1S/C12H20N2O/c1-3-4-5-8-12(15)14-11-7-6-9-13-10(11)2/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyKUZZSISHBVGRBI-UHFFFAOYSA-N
XLogP1.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methylpiperidin-3-yl)hexa-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 N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide (CID 104941383) is N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide is CC=CC=CC(=O)NC1CCCNC1C.
What is the InChIKey of N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide?
The InChIKey is KUZZSISHBVGRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-8-12(15)14-11-7-6-9-13-10(11)2/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide?
N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide has a molecular weight of 208.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide is sourced from PubChem (CID 104941383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).