1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone

C10H21N3O — CID 103814597

IUPAC1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1CCN(C)CC1C
InChIInChI=1S/C10H21N3O/c1-4-11-7-10(14)13-6-5-12(3)8-9(13)2/h9,11H,4-8H2,1-3H3
InChIKeyLKOSDIQQYLSBMR-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds3

About 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone

1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone (PubChem CID 103814597) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone
PubChem CID103814597
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1CCN(C)CC1C
InChIInChI=1S/C10H21N3O/c1-4-11-7-10(14)13-6-5-12(3)8-9(13)2/h9,11H,4-8H2,1-3H3
InChIKeyLKOSDIQQYLSBMR-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 114536651
N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110741126
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 103814616
ethane;N,2,4-trimethylpiperazine-1-carboxamide
CID 144801941
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114085746
1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 110707794
1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone
CID 115740145
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)pentan-1-one
CID 103814592
(2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone
CID 114085748
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone (CID 103814597) is 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone is CCNCC(=O)N1CCN(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone?
The InChIKey is LKOSDIQQYLSBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-11-7-10(14)13-6-5-12(3)8-9(13)2/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone?
1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone has a molecular weight of 199.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 103814597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).