1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea

C11H22N4O2 — CID 82511597

IUPAC1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea
SMILESCCN(C(N)=O)C(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C11H22N4O2/c1-4-15(10(12)17)11(2,3)9(16)14-7-5-13-6-8-14/h13H,4-8H2,1-3H3,(H2,12,17)
InChIKeyWVDBXHOHRDTKJQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.40
Rot. Bonds3

About 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea

1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea (PubChem CID 82511597) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea
PubChem CID82511597
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea
SMILESCCN(C(N)=O)C(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C11H22N4O2/c1-4-15(10(12)17)11(2,3)9(16)14-7-5-13-6-8-14/h13H,4-8H2,1-3H3,(H2,12,17)
InChIKeyWVDBXHOHRDTKJQ-UHFFFAOYSA-N
XLogP-0.40
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39284199
2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39284519
2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842
3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 22120293
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one
CID 142030371
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride
CID 43842039
piperazine-1-carboxamide;zinc
CID 175213463

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea (CID 82511597) is 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea is CCN(C(N)=O)C(C)(C)C(=O)N1CCNCC1.
What is the InChIKey of 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea?
The InChIKey is WVDBXHOHRDTKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-4-15(10(12)17)11(2,3)9(16)14-7-5-13-6-8-14/h13H,4-8H2,1-3H3,(H2,12,17).
What are the key properties of 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea?
1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea has a molecular weight of 242.32 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 82511597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).