3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide

C23H27FN2O2 — CID 45167569

IUPAC3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)c1cccc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)c1
InChIInChI=1S/C23H27FN2O2/c1-17(27)20-8-4-6-19(14-20)16-26-13-5-7-18(15-26)11-12-23(28)25-22-10-3-2-9-21(22)24/h2-4,6,8-10,14,18H,5,7,11-13,15-16H2,1H3,(H,25,28)
InChIKeyNQKJJRGKVFUPAO-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.66
Rot. Bonds7

About 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide

3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 45167569) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
PubChem CID45167569
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)c1cccc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)c1
InChIInChI=1S/C23H27FN2O2/c1-17(27)20-8-4-6-19(14-20)16-26-13-5-7-18(15-26)11-12-23(28)25-22-10-3-2-9-21(22)24/h2-4,6,8-10,14,18H,5,7,11-13,15-16H2,1H3,(H,25,28)
InChIKeyNQKJJRGKVFUPAO-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (CID 45167569) is 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is CC(=O)c1cccc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)c1.
What is the InChIKey of 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is NQKJJRGKVFUPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-17(27)20-8-4-6-19(14-20)16-26-13-5-7-18(15-26)11-12-23(28)25-22-10-3-2-9-21(22)24/h2-4,6,8-10,14,18H,5,7,11-13,15-16H2,1H3,(H,25,28).
What are the key properties of 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 382.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 45167569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).