2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide

C11H23N3O — CID 64980824

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CC(C)NCC1C
InChIInChI=1S/C11H23N3O/c1-5-13(4)11(15)8-14-7-9(2)12-6-10(14)3/h9-10,12H,5-8H2,1-4H3
InChIKeyROCRKDZDCRQCJS-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.15
Rot. Bonds3

About 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide

2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 64980824) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide
PubChem CID64980824
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CC(C)NCC1C
InChIInChI=1S/C11H23N3O/c1-5-13(4)11(15)8-14-7-9(2)12-6-10(14)3/h9-10,12H,5-8H2,1-4H3
InChIKeyROCRKDZDCRQCJS-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide (CID 64980824) is 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1CC(C)NCC1C.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is ROCRKDZDCRQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-13(4)11(15)8-14-7-9(2)12-6-10(14)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 64980824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).