3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide

C16H19ClN2OS — CID 126786471

IUPAC3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCC1CCCNC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H19ClN2OS/c17-14-12-5-1-2-6-13(12)21-15(14)16(20)19-9-7-11-4-3-8-18-10-11/h1-2,5-6,11,18H,3-4,7-10H2,(H,19,20)
InChIKeyORDLIXAKSQEMFD-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.67
Rot. Bonds4

About 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 126786471) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID126786471
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCC1CCCNC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H19ClN2OS/c17-14-12-5-1-2-6-13(12)21-15(14)16(20)19-9-7-11-4-3-8-18-10-11/h1-2,5-6,11,18H,3-4,7-10H2,(H,19,20)
InChIKeyORDLIXAKSQEMFD-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(2-piperidin-3-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

3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119558468
3,6-dichloro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119537076
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119555874
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119461750
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide (CID 126786471) is 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCCC1CCCNC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ORDLIXAKSQEMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c17-14-12-5-1-2-6-13(12)21-15(14)16(20)19-9-7-11-4-3-8-18-10-11/h1-2,5-6,11,18H,3-4,7-10H2,(H,19,20).
What are the key properties of 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 322.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 126786471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).