N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide

C8H14N2O — CID 123358409

IUPACN-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide
SMILESCC(=O)NCC1=NCCCC1
InChIInChI=1S/C8H14N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2-6H2,1H3,(H,10,11)
InChIKeyBKJWFZFZLDONAV-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.75
Rot. Bonds2

About N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide

N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide (PubChem CID 123358409) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide
PubChem CID123358409
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide
SMILESCC(=O)NCC1=NCCCC1
InChIInChI=1S/C8H14N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2-6H2,1H3,(H,10,11)
InChIKeyBKJWFZFZLDONAV-UHFFFAOYSA-N
XLogP0.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide 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-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide?
The IUPAC name of N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide (CID 123358409) is N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide?
The canonical SMILES for N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide is CC(=O)NCC1=NCCCC1.
What is the InChIKey of N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide?
The InChIKey is BKJWFZFZLDONAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2-6H2,1H3,(H,10,11).
What are the key properties of N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide?
N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide has a molecular weight of 154.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide is sourced from PubChem (CID 123358409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).