N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide

C16H19N3O2 — CID 108519434

IUPACN-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCC(C)N1C(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12(2)19(11)16(21)15(20)18-14-8-6-13(10-17)7-9-14/h6-9,11-12H,3-5H2,1-2H3,(H,18,20)
InChIKeyOSCITBAUFWUTPV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.29
Rot. Bonds1

About N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108519434) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108519434
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCC(C)N1C(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12(2)19(11)16(21)15(20)18-14-8-6-13(10-17)7-9-14/h6-9,11-12H,3-5H2,1-2H3,(H,18,20)
InChIKeyOSCITBAUFWUTPV-UHFFFAOYSA-N
XLogP2.29
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108524855
2-(2,6-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522285
ethyl 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500096
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108516493
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
ethyl 1-[2-(4-cyanoanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108519415
N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide
CID 129402957
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
1-(4-cyanophenyl)-3-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]urea
CID 95975783
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108511925
(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108519434) is N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CCCC(C)N1C(=O)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is OSCITBAUFWUTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-3-5-12(2)19(11)16(21)15(20)18-14-8-6-13(10-17)7-9-14/h6-9,11-12H,3-5H2,1-2H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 285.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108519434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).