2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone

C10H21N3O — CID 24701593

IUPAC2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCC(C)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O/c1-9(2)12(3)8-10(14)13-6-4-11-5-7-13/h9,11H,4-8H2,1-3H3
InChIKeyTXJIZIIRFIXZBD-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds3

About 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone

2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 24701593) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
PubChem CID24701593
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCC(C)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O/c1-9(2)12(3)8-10(14)13-6-4-11-5-7-13/h9,11H,4-8H2,1-3H3
InChIKeyTXJIZIIRFIXZBD-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-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pentanamide
CID 43603175
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride
CID 119915218
N-(2-methylbutan-2-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide
CID 61018696
2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61017886
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 119470224

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone (CID 24701593) is 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone is CC(C)N(C)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is TXJIZIIRFIXZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2)12(3)8-10(14)13-6-4-11-5-7-13/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone 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 2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 24701593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).