2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone

C10H21N3O — CID 79001733

IUPAC2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CCNCC1(C)C
InChIInChI=1S/C10H21N3O/c1-10(2)8-11-5-6-13(10)9(14)7-12(3)4/h11H,5-8H2,1-4H3
InChIKeyQUKRBBRRNVGVHZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds2

About 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone

2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone (PubChem CID 79001733) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
PubChem CID79001733
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CCNCC1(C)C
InChIInChI=1S/C10H21N3O/c1-10(2)8-11-5-6-13(10)9(14)7-12(3)4/h11H,5-8H2,1-4H3
InChIKeyQUKRBBRRNVGVHZ-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone 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-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone (CID 79001733) is 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone is CN(C)CC(=O)N1CCNCC1(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone?
The InChIKey is QUKRBBRRNVGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2)8-11-5-6-13(10)9(14)7-12(3)4/h11H,5-8H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone?
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone has a molecular weight of 199.30 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79001733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).