N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide

C22H24FN3O3 — CID 113007926

IUPACN-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H24FN3O3/c1-15(27)24-19-6-8-20(9-7-19)25-22(29)17-10-12-26(13-11-17)21(28)14-16-2-4-18(23)5-3-16/h2-9,17H,10-14H2,1H3,(H,24,27)(H,25,29)
InChIKeyDJSAKJMWLYHVGU-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.20
Rot. Bonds5

About N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide

N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113007926) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
PubChem CID113007926
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H24FN3O3/c1-15(27)24-19-6-8-20(9-7-19)25-22(29)17-10-12-26(13-11-17)21(28)14-16-2-4-18(23)5-3-16/h2-9,17H,10-14H2,1H3,(H,24,27)(H,25,29)
InChIKeyDJSAKJMWLYHVGU-UHFFFAOYSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 113008999
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008428
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768106
1-[2-(4-methoxyphenyl)acetyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006818
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
1-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide (CID 113007926) is N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is DJSAKJMWLYHVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15(27)24-19-6-8-20(9-7-19)25-22(29)17-10-12-26(13-11-17)21(28)14-16-2-4-18(23)5-3-16/h2-9,17H,10-14H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113007926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).