N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C22H25N3O4 — CID 55631454

IUPACN-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-16(26)23-18-7-9-19(10-8-18)24-22(28)17-11-13-25(14-12-17)21(27)15-29-20-5-3-2-4-6-20/h2-10,17H,11-15H2,1H3,(H,23,26)(H,24,28)
InChIKeyISKWQUQMKKKCGL-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.90
Rot. Bonds6

About N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55631454) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55631454
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-16(26)23-18-7-9-19(10-8-18)24-22(28)17-11-13-25(14-12-17)21(27)15-29-20-5-3-2-4-6-20/h2-10,17H,11-15H2,1H3,(H,23,26)(H,24,28)
InChIKeyISKWQUQMKKKCGL-UHFFFAOYSA-N
XLogP2.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633115
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55631454) is N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is ISKWQUQMKKKCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16(26)23-18-7-9-19(10-8-18)24-22(28)17-11-13-25(14-12-17)21(27)15-29-20-5-3-2-4-6-20/h2-10,17H,11-15H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55631454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).