N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide

C15H19N3OS — CID 119446532

IUPACN-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc2sccc2c1
InChIInChI=1S/C15H19N3OS/c19-15(17-6-9-18-7-4-16-5-8-18)13-1-2-14-12(11-13)3-10-20-14/h1-3,10-11,16H,4-9H2,(H,17,19)
InChIKeyRHLYRNOBVCTZFQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.54
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide

N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide (PubChem CID 119446532) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
PubChem CID119446532
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc2sccc2c1
InChIInChI=1S/C15H19N3OS/c19-15(17-6-9-18-7-4-16-5-8-18)13-1-2-14-12(11-13)3-10-20-14/h1-3,10-11,16H,4-9H2,(H,17,19)
InChIKeyRHLYRNOBVCTZFQ-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-benzothiophene-5-carboxamide
CID 70709796
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-chloro-3-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119449000
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
3-oxo-N-(2-piperazin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119444793
3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448751
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide (CID 119446532) is N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide is O=C(NCCN1CCNCC1)c1ccc2sccc2c1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide?
The InChIKey is RHLYRNOBVCTZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15(17-6-9-18-7-4-16-5-8-18)13-1-2-14-12(11-13)3-10-20-14/h1-3,10-11,16H,4-9H2,(H,17,19).
What are the key properties of N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide?
N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 119446532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).