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

C9H19N3O — CID 63872002

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CC(C)NC(C)C1
InChIInChI=1S/C9H19N3O/c1-7-4-12(5-8(2)11-7)6-9(13)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,13)
InChIKeyPLQBHZJMEUELTD-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.59
Rot. Bonds2

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

2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide (PubChem CID 63872002) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
PubChem CID63872002
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CC(C)NC(C)C1
InChIInChI=1S/C9H19N3O/c1-7-4-12(5-8(2)11-7)6-9(13)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,13)
InChIKeyPLQBHZJMEUELTD-UHFFFAOYSA-N
XLogP-0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide
CID 63873526
N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119924112
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
N-(cyclopentylcarbamoyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63873098
N-(cyclohexylcarbamoyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872768
N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872554
2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide
CID 121185551
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119923921
N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
CID 63872942
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide (CID 63872002) is 2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide is CNC(=O)CN1CC(C)NC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The InChIKey is PLQBHZJMEUELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-4-12(5-8(2)11-7)6-9(13)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,13).
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide has a molecular weight of 185.27 g/mol, XLogP of -0.59, 2 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-methylacetamide is sourced from PubChem (CID 63872002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).