N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

C15H17N3O2 — CID 108501574

IUPACN-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)Nc2ccccc2C#N)C1
InChIInChI=1S/C15H17N3O2/c1-11-5-4-8-18(10-11)15(20)14(19)17-13-7-3-2-6-12(13)9-16/h2-3,6-7,11H,4-5,8,10H2,1H3,(H,17,19)
InChIKeyAIDPEJNJMGZBGB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.76
Rot. Bonds1

About N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108501574) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108501574
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)Nc2ccccc2C#N)C1
InChIInChI=1S/C15H17N3O2/c1-11-5-4-8-18(10-11)15(20)14(19)17-13-7-3-2-6-12(13)9-16/h2-3,6-7,11H,4-5,8,10H2,1H3,(H,17,19)
InChIKeyAIDPEJNJMGZBGB-UHFFFAOYSA-N
XLogP1.76
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.76
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-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980226
N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107563
N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090441
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide
CID 79163125
N-(4-hydroxy-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108509533
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108501653
N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334012
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108986491
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (CID 108501574) is N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCCN(C(=O)C(=O)Nc2ccccc2C#N)C1.
What is the InChIKey of N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is AIDPEJNJMGZBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-4-8-18(10-11)15(20)14(19)17-13-7-3-2-6-12(13)9-16/h2-3,6-7,11H,4-5,8,10H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 271.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108501574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).