2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide

C11H21F2N3O — CID 113303615

IUPAC2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NCC(F)F)CC1
InChIInChI=1S/C11H21F2N3O/c1-15(2)11(17)8-16-5-3-9(4-6-16)14-7-10(12)13/h9-10,14H,3-8H2,1-2H3
InChIKeyXGMYNZDVFDKIGJ-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.39
Rot. Bonds5

About 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 113303615) has the molecular formula C11H21F2N3O and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID113303615
Molecular FormulaC11H21F2N3O
Molecular Weight249.30 g/mol
Exact Mass249.17
IUPAC Name2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NCC(F)F)CC1
InChIInChI=1S/C11H21F2N3O/c1-15(2)11(17)8-16-5-3-9(4-6-16)14-7-10(12)13/h9-10,14H,3-8H2,1-2H3
InChIKeyXGMYNZDVFDKIGJ-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide 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-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide (CID 113303615) is 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(NCC(F)F)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is XGMYNZDVFDKIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O/c1-15(2)11(17)8-16-5-3-9(4-6-16)14-7-10(12)13/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 249.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 113303615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).