5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide

C17H16BrFN2O2S — CID 55710739

IUPAC5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)s1
InChIInChI=1S/C17H16BrFN2O2S/c18-15-6-5-14(24-15)16(22)20-11-7-9-21(10-8-11)17(23)12-3-1-2-4-13(12)19/h1-6,11H,7-10H2,(H,20,22)
InChIKeyVLEQRYQLCRHNEU-UHFFFAOYSA-N
MW411.30 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide

5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 55710739) has the molecular formula C17H16BrFN2O2S and a molecular weight of 411.30 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID55710739
Molecular FormulaC17H16BrFN2O2S
Molecular Weight411.30 g/mol
Exact Mass410.01
IUPAC Name5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)s1
InChIInChI=1S/C17H16BrFN2O2S/c18-15-6-5-14(24-15)16(22)20-11-7-9-21(10-8-11)17(23)12-3-1-2-4-13(12)19/h1-6,11H,7-10H2,(H,20,22)
InChIKeyVLEQRYQLCRHNEU-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide (CID 55710739) is 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is VLEQRYQLCRHNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2S/c18-15-6-5-14(24-15)16(22)20-11-7-9-21(10-8-11)17(23)12-3-1-2-4-13(12)19/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55710739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).