N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

C15H21N3O2 — CID 108523458

IUPACN-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCCCC2C)c(N)c1
InChIInChI=1S/C15H21N3O2/c1-10-6-7-13(12(16)9-10)17-14(19)15(20)18-8-4-3-5-11(18)2/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyYXTDREZUKQOYMM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.92
Rot. Bonds1

About N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523458) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523458
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCCCC2C)c(N)c1
InChIInChI=1S/C15H21N3O2/c1-10-6-7-13(12(16)9-10)17-14(19)15(20)18-8-4-3-5-11(18)2/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyYXTDREZUKQOYMM-UHFFFAOYSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336445
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375
2-(2-methylpiperidin-1-yl)-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382926
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
dimethyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108523341
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide
CID 108523389
N-(2-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523411
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968
butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108514590
[3-amino-4-(butylamino)phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 156640770
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (CID 108523458) is N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCCCC2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is YXTDREZUKQOYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-6-7-13(12(16)9-10)17-14(19)15(20)18-8-4-3-5-11(18)2/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).