6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide

C21H22N2O2S — CID 164889357

IUPAC6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(O)cc3)cc2s1
InChIInChI=1S/C21H22N2O2S/c24-18-5-3-15(4-6-18)16-1-2-17-12-20(26-19(17)11-16)21(25)23-13-14-7-9-22-10-8-14/h1-6,11-12,14,22,24H,7-10,13H2,(H,23,25)
InChIKeySPNLVMAXUMFLHV-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.00
Rot. Bonds4

About 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide

6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 164889357) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID164889357
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(O)cc3)cc2s1
InChIInChI=1S/C21H22N2O2S/c24-18-5-3-15(4-6-18)16-1-2-17-12-20(26-19(17)11-16)21(25)23-13-14-7-9-22-10-8-14/h1-6,11-12,14,22,24H,7-10,13H2,(H,23,25)
InChIKeySPNLVMAXUMFLHV-UHFFFAOYSA-N
XLogP4.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-4-[(3-hydroxy-phenyl)-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 11259665
N-[(4aR,6R,8aS)-4a-(3-hydroxyphenyl)-8a-methyl-2-(3-phenylpropyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-6-yl]-1-benzothiophene-2-carboxamide
CID 11527084
N-Ethyl-4-[(4-hydroxy-phenyl)-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44307428
[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ylpropyl)phenyl]methanone
CID 10027750
2-(4-((4-(2''-Hydroxybiphenyl-4-yl)thiophene-2-carboxamido)methyl)phenyl)acetic acid
CID 54582221
N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 46899922
6-hydroxy-N-[8-(hydroxyamino)-8-oxooctyl]-2-(4-hydroxyphenyl)-1-benzothiophene-3-carboxamide
CID 155524034
6-hydroxy-N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-hydroxyphenyl)-1-benzothiophene-3-carboxamide
CID 155547367
4-[5-[(3-Hydroxyphenyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 168277135
4-[5-[(2-Hydroxyphenyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 168293314
(4-Benzylpiperidin-1-yl)-(5-hydroxybenzothiophen-2-yl)-methanone
CID 16110238
N-benzyl-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 137518272

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide (CID 164889357) is 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(O)cc3)cc2s1.
What is the InChIKey of 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SPNLVMAXUMFLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-18-5-3-15(4-6-18)16-1-2-17-12-20(26-19(17)11-16)21(25)23-13-14-7-9-22-10-8-14/h1-6,11-12,14,22,24H,7-10,13H2,(H,23,25).
What are the key properties of 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide?
6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 164889357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).