N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide

C16H19N3O2S — CID 119454757

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1csc2ccccc12
InChIInChI=1S/C16H19N3O2S/c1-18(10-15(20)19-8-6-17-7-9-19)16(21)13-11-22-14-5-3-2-4-12(13)14/h2-5,11,17H,6-10H2,1H3
InChIKeyVNOLRBRSTQSSCF-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.41
Rot. Bonds3

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide (PubChem CID 119454757) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
PubChem CID119454757
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1csc2ccccc12
InChIInChI=1S/C16H19N3O2S/c1-18(10-15(20)19-8-6-17-7-9-19)16(21)13-11-22-14-5-3-2-4-12(13)14/h2-5,11,17H,6-10H2,1H3
InChIKeyVNOLRBRSTQSSCF-UHFFFAOYSA-N
XLogP1.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 119454600
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 65198629
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 81122974
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012559
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide (CID 119454757) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide is CN(CC(=O)N1CCNCC1)C(=O)c1csc2ccccc12.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide?
The InChIKey is VNOLRBRSTQSSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-18(10-15(20)19-8-6-17-7-9-19)16(21)13-11-22-14-5-3-2-4-12(13)14/h2-5,11,17H,6-10H2,1H3.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 119454757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).