N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide

C13H19N3O2S — CID 61475614

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1ccc(C(C)NC(=O)C(=O)N2CCNCC2)s1
InChIInChI=1S/C13H19N3O2S/c1-9-3-4-11(19-9)10(2)15-12(17)13(18)16-7-5-14-6-8-16/h3-4,10,14H,5-8H2,1-2H3,(H,15,17)
InChIKeySZLAKIJERDLYLU-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.67
Rot. Bonds2

About N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide

N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 61475614) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide
PubChem CID61475614
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1ccc(C(C)NC(=O)C(=O)N2CCNCC2)s1
InChIInChI=1S/C13H19N3O2S/c1-9-3-4-11(19-9)10(2)15-12(17)13(18)16-7-5-14-6-8-16/h3-4,10,14H,5-8H2,1-2H3,(H,15,17)
InChIKeySZLAKIJERDLYLU-UHFFFAOYSA-N
XLogP0.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 113226653
1-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 94576074
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 81140632
N-(cyanomethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide
CID 54953799
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 54953950
N-(2-methylpropyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507132
2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
CID 79234327
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 54873710
1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095422

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide (CID 61475614) is N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide is Cc1ccc(C(C)NC(=O)C(=O)N2CCNCC2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is SZLAKIJERDLYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-3-4-11(19-9)10(2)15-12(17)13(18)16-7-5-14-6-8-16/h3-4,10,14H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide?
N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 281.38 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 61475614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).