2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide

C13H27N3O — CID 19845955

IUPAC2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide
SMILESCCN(CC)CC1CCCCN1CC(=O)NC
InChIInChI=1S/C13H27N3O/c1-4-15(5-2)10-12-8-6-7-9-16(12)11-13(17)14-3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyOGGGOVYKFLKDRV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds6

About 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide

2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 19845955) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide
PubChem CID19845955
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide
SMILESCCN(CC)CC1CCCCN1CC(=O)NC
InChIInChI=1S/C13H27N3O/c1-4-15(5-2)10-12-8-6-7-9-16(12)11-13(17)14-3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyOGGGOVYKFLKDRV-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide 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 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide (CID 19845955) is 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide is CCN(CC)CC1CCCCN1CC(=O)NC.
What is the InChIKey of 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is OGGGOVYKFLKDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-15(5-2)10-12-8-6-7-9-16(12)11-13(17)14-3/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide?
2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylaminomethyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 19845955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).