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

C20H23FN2O2S — CID 24791102

IUPAC5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)s1
InChIInChI=1S/C20H23FN2O2S/c1-14(24)18-9-10-19(26-18)20(25)22(2)16-7-5-11-23(13-16)12-15-6-3-4-8-17(15)21/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3
InChIKeyWMKHHXWSTGCLKZ-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.83
Rot. Bonds5

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

5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide (PubChem CID 24791102) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide
PubChem CID24791102
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)s1
InChIInChI=1S/C20H23FN2O2S/c1-14(24)18-9-10-19(26-18)20(25)22(2)16-7-5-11-23(13-16)12-15-6-3-4-8-17(15)21/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3
InChIKeyWMKHHXWSTGCLKZ-UHFFFAOYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
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]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide (CID 24791102) is 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)s1.
What is the InChIKey of 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is WMKHHXWSTGCLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-14(24)18-9-10-19(26-18)20(25)22(2)16-7-5-11-23(13-16)12-15-6-3-4-8-17(15)21/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3.
What are the key properties of 5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide?
5-acetyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 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]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 24791102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).