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

C16H21N3OS — CID 63265449

IUPACN-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)c1csc2ccccc12
InChIInChI=1S/C16H21N3OS/c1-18(10-11-19-8-6-17-7-9-19)16(20)14-12-21-15-5-3-2-4-13(14)15/h2-5,12,17H,6-11H2,1H3
InChIKeyYIMZTTUQUKOLMY-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.88
Rot. Bonds4

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

N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide (PubChem CID 63265449) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
PubChem CID63265449
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)c1csc2ccccc12
InChIInChI=1S/C16H21N3OS/c1-18(10-11-19-8-6-17-7-9-19)16(20)14-12-21-15-5-3-2-4-13(14)15/h2-5,12,17H,6-11H2,1H3
InChIKeyYIMZTTUQUKOLMY-UHFFFAOYSA-N
XLogP1.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 119454757
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
N-methyl-N-(2-piperazin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63265749
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 103403645
2-(1-benzothiophen-3-yl)-3-methyl-4-piperazin-1-ylbut-1-en-1-one;hydrochloride
CID 87261853
2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide (CID 63265449) is N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide is CN(CCN1CCNCC1)C(=O)c1csc2ccccc12.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide?
The InChIKey is YIMZTTUQUKOLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-18(10-11-19-8-6-17-7-9-19)16(20)14-12-21-15-5-3-2-4-13(14)15/h2-5,12,17H,6-11H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide?
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 63265449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).