4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide

C13H19N3O3S — CID 81122974

IUPAC4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C13H19N3O3S/c1-15(8-12(17)16-5-3-14-4-6-16)13(18)11-7-10(19-2)9-20-11/h7,9,14H,3-6,8H2,1-2H3
InChIKeyWLJAGVLFYWVXPS-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.26
Rot. Bonds4

About 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide

4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 81122974) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
PubChem CID81122974
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C13H19N3O3S/c1-15(8-12(17)16-5-3-14-4-6-16)13(18)11-7-10(19-2)9-20-11/h7,9,14H,3-6,8H2,1-2H3
InChIKeyWLJAGVLFYWVXPS-UHFFFAOYSA-N
XLogP0.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 65198629
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 119454600
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 119454757
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454862
4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 81118506

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide (CID 81122974) is 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide is COc1csc(C(=O)N(C)CC(=O)N2CCNCC2)c1.
What is the InChIKey of 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is WLJAGVLFYWVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-15(8-12(17)16-5-3-14-4-6-16)13(18)11-7-10(19-2)9-20-11/h7,9,14H,3-6,8H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide?
4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 81122974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).