N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide

C14H20N4O2 — CID 64680059

IUPACN-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCc1cccc(N)c1NC(=O)CN1CCN(C)C(=O)C1
InChIInChI=1S/C14H20N4O2/c1-10-4-3-5-11(15)14(10)16-12(19)8-18-7-6-17(2)13(20)9-18/h3-5H,6-9,15H2,1-2H3,(H,16,19)
InChIKeyDWEYGTJHELIIFS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.29
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide

N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 64680059) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
PubChem CID64680059
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCc1cccc(N)c1NC(=O)CN1CCN(C)C(=O)C1
InChIInChI=1S/C14H20N4O2/c1-10-4-3-5-11(15)14(10)16-12(19)8-18-7-6-17(2)13(20)9-18/h3-5H,6-9,15H2,1-2H3,(H,16,19)
InChIKeyDWEYGTJHELIIFS-UHFFFAOYSA-N
XLogP0.29
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2-amino-6-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490459
N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide
CID 102888500
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 43375694
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62849766
N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64683209
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)acetamide
CID 6458103

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide (CID 64680059) is N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide is Cc1cccc(N)c1NC(=O)CN1CCN(C)C(=O)C1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is DWEYGTJHELIIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-4-3-5-11(15)14(10)16-12(19)8-18-7-6-17(2)13(20)9-18/h3-5H,6-9,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 64680059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).