N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide

C21H23N3O3 — CID 53063837

IUPACN-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)Nc3cccc(C)c3)C(=O)C2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-15-6-8-17(9-7-15)13-23-10-11-24(21(27)20(23)26)14-19(25)22-18-5-3-4-16(2)12-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyIFVOKGBJHNKMKK-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.11
Rot. Bonds5

About N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide

N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (PubChem CID 53063837) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
PubChem CID53063837
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)Nc3cccc(C)c3)C(=O)C2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-15-6-8-17(9-7-15)13-23-10-11-24(21(27)20(23)26)14-19(25)22-18-5-3-4-16(2)12-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyIFVOKGBJHNKMKK-UHFFFAOYSA-N
XLogP2.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.11
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-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063815
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063836
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063920
2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53063800
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53063644
N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063782
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063668
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methylphenyl)acetamide
CID 75528754
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (CID 53063837) is N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is Cc1ccc(CN2CCN(CC(=O)Nc3cccc(C)c3)C(=O)C2=O)cc1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The InChIKey is IFVOKGBJHNKMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-6-8-17(9-7-15)13-23-10-11-24(21(27)20(23)26)14-19(25)22-18-5-3-4-16(2)12-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 53063837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).