N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

C19H19N3O2S — CID 113008709

IUPACN-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H19N3O2S/c20-13-15-4-1-2-6-17(15)21-19(24)14-7-9-22(10-8-14)18(23)12-16-5-3-11-25-16/h1-6,11,14H,7-10,12H2,(H,21,24)
InChIKeyWASSOSXEWQKPKC-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.04
Rot. Bonds4

About N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 113008709) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
PubChem CID113008709
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H19N3O2S/c20-13-15-4-1-2-6-17(15)21-19(24)14-7-9-22(10-8-14)18(23)12-16-5-3-11-25-16/h1-6,11,14H,7-10,12H2,(H,21,24)
InChIKeyWASSOSXEWQKPKC-UHFFFAOYSA-N
XLogP3.04
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
methyl 4-[[1-(2-thiophen-2-ylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008012
N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008520
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008331
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113006910
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113003575

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (CID 113008709) is N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is N#Cc1ccccc1NC(=O)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is WASSOSXEWQKPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c20-13-15-4-1-2-6-17(15)21-19(24)14-7-9-22(10-8-14)18(23)12-16-5-3-11-25-16/h1-6,11,14H,7-10,12H2,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.04, 4 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-thiophen-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).