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

C16H19N3O2S — CID 119454600

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H19N3O2S/c1-18(11-15(20)19-8-6-17-7-9-19)16(21)14-10-12-4-2-3-5-13(12)22-14/h2-5,10,17H,6-9,11H2,1H3
InChIKeyBXMSABZIESIHMJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.41
Rot. Bonds3

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

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 119454600) 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-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID119454600
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H19N3O2S/c1-18(11-15(20)19-8-6-17-7-9-19)16(21)14-10-12-4-2-3-5-13(12)22-14/h2-5,10,17H,6-9,11H2,1H3
InChIKeyBXMSABZIESIHMJ-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

Analyze N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 119454757
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 81122974
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 38660045
N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 61406378
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide (CID 119454600) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide is CN(CC(=O)N1CCNCC1)C(=O)c1cc2ccccc2s1.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BXMSABZIESIHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-18(11-15(20)19-8-6-17-7-9-19)16(21)14-10-12-4-2-3-5-13(12)22-14/h2-5,10,17H,6-9,11H2,1H3.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-2-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-2-carboxamide is sourced from PubChem (CID 119454600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).