4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide

C23H25FN2OS — CID 142725182

IUPAC4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1cc2c(-c3ccc(F)cc3)cccc2s1
InChIInChI=1S/C23H25FN2OS/c1-25(14-15-26-12-3-2-4-13-26)23(27)22-16-20-19(6-5-7-21(20)28-22)17-8-10-18(24)11-9-17/h5-11,16H,2-4,12-15H2,1H3
InChIKeySVIZZLBSQHNHTD-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.27
Rot. Bonds5

About 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide

4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 142725182) has the molecular formula C23H25FN2OS and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID142725182
Molecular FormulaC23H25FN2OS
Molecular Weight396.53 g/mol
Exact Mass396.17
IUPAC Name4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1cc2c(-c3ccc(F)cc3)cccc2s1
InChIInChI=1S/C23H25FN2OS/c1-25(14-15-26-12-3-2-4-13-26)23(27)22-16-20-19(6-5-7-21(20)28-22)17-8-10-18(24)11-9-17/h5-11,16H,2-4,12-15H2,1H3
InChIKeySVIZZLBSQHNHTD-UHFFFAOYSA-N
XLogP5.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide (CID 142725182) is 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide is CN(CCN1CCCCC1)C(=O)c1cc2c(-c3ccc(F)cc3)cccc2s1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SVIZZLBSQHNHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2OS/c1-25(14-15-26-12-3-2-4-13-26)23(27)22-16-20-19(6-5-7-21(20)28-22)17-8-10-18(24)11-9-17/h5-11,16H,2-4,12-15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide?
4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142725182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).