2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide

C13H27N3O — CID 114235522

IUPAC2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC1CCNCC1(C)C
InChIInChI=1S/C13H27N3O/c1-5-16(6-2)12(17)9-15-11-7-8-14-10-13(11,3)4/h11,14-15H,5-10H2,1-4H3
InChIKeyATSUFSOHBKLAOG-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide

2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide (PubChem CID 114235522) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide
PubChem CID114235522
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC1CCNCC1(C)C
InChIInChI=1S/C13H27N3O/c1-5-16(6-2)12(17)9-15-11-7-8-14-10-13(11,3)4/h11,14-15H,5-10H2,1-4H3
InChIKeyATSUFSOHBKLAOG-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide 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-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide (CID 114235522) is 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNC1CCNCC1(C)C.
What is the InChIKey of 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide?
The InChIKey is ATSUFSOHBKLAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-16(6-2)12(17)9-15-11-7-8-14-10-13(11,3)4/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide?
2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 114235522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).