5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide

C19H21FN2O2S — CID 24790542

IUPAC5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccccc3F)C2)s1
InChIInChI=1S/C19H21FN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-15-6-4-10-22(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,21,24)
InChIKeyDOXMCTWMNWUYRT-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.48
Rot. Bonds5

About 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide

5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 24790542) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
PubChem CID24790542
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccccc3F)C2)s1
InChIInChI=1S/C19H21FN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-15-6-4-10-22(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,21,24)
InChIKeyDOXMCTWMNWUYRT-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide (CID 24790542) is 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccccc3F)C2)s1.
What is the InChIKey of 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is DOXMCTWMNWUYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-15-6-4-10-22(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,21,24).
What are the key properties of 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24790542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).