2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide

C10H21N3O — CID 63873526

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CC(C)NC(C)C1
InChIInChI=1S/C10H21N3O/c1-4-11-10(14)7-13-5-8(2)12-9(3)6-13/h8-9,12H,4-7H2,1-3H3,(H,11,14)
InChIKeyZFATWJQWCGPZBH-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.20
Rot. Bonds3

About 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide

2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide (PubChem CID 63873526) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide
PubChem CID63873526
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CC(C)NC(C)C1
InChIInChI=1S/C10H21N3O/c1-4-11-10(14)7-13-5-8(2)12-9(3)6-13/h8-9,12H,4-7H2,1-3H3,(H,11,14)
InChIKeyZFATWJQWCGPZBH-UHFFFAOYSA-N
XLogP-0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872002
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
CID 106672092
N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119924112
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976988
N-(cyclopentylcarbamoyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63873098
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
N-(cyclohexylcarbamoyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872768
N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide (CID 63873526) is 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide is CCNC(=O)CN1CC(C)NC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide?
The InChIKey is ZFATWJQWCGPZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-11-10(14)7-13-5-8(2)12-9(3)6-13/h8-9,12H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide?
2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide has a molecular weight of 199.30 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 63873526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).