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

C21H21N3O3 — CID 110673965

IUPACN-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C21H21N3O3/c22-14-17-6-4-5-9-19(17)23-21(26)16-10-12-24(13-11-16)20(25)15-27-18-7-2-1-3-8-18/h1-9,16H,10-13,15H2,(H,23,26)
InChIKeyPBCZPOSMWSLBNL-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.81
Rot. Bonds5

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

N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 110673965) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID110673965
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C21H21N3O3/c22-14-17-6-4-5-9-19(17)23-21(26)16-10-12-24(13-11-16)20(25)15-27-18-7-2-1-3-8-18/h1-9,16H,10-13,15H2,(H,23,26)
InChIKeyPBCZPOSMWSLBNL-UHFFFAOYSA-N
XLogP2.81
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008709
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71864234
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
2-[4-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55630194
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 110673965) is N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is N#Cc1ccccc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is PBCZPOSMWSLBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-14-17-6-4-5-9-19(17)23-21(26)16-10-12-24(13-11-16)20(25)15-27-18-7-2-1-3-8-18/h1-9,16H,10-13,15H2,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110673965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).