N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

C16H22N2O2 — CID 108518109

IUPACN-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1ccc(CNC(=O)C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C16H22N2O2/c1-12-6-8-14(9-7-12)11-17-15(19)16(20)18-10-4-3-5-13(18)2/h6-9,13H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyKNGPUHIQLKLHNC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.01
Rot. Bonds2

About N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108518109) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108518109
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1ccc(CNC(=O)C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C16H22N2O2/c1-12-6-8-14(9-7-12)11-17-15(19)16(20)18-10-4-3-5-13(18)2/h6-9,13H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyKNGPUHIQLKLHNC-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 108520273
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518107
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523374
N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336445
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523458
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517042
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108507737
(2R)-N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 95728102
N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 56914375

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (CID 108518109) is N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is Cc1ccc(CNC(=O)C(=O)N2CCCCC2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is KNGPUHIQLKLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-6-8-14(9-7-12)11-17-15(19)16(20)18-10-4-3-5-13(18)2/h6-9,13H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108518109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).