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

C22H23N3O4 — CID 53063815

IUPACN-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc(C)cc3)C(=O)C2=O)c1
InChIInChI=1S/C22H23N3O4/c1-15-6-8-17(9-7-15)13-24-10-11-25(22(29)21(24)28)14-20(27)23-19-5-3-4-18(12-19)16(2)26/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,27)
InChIKeyQKBJXAGZXKKZSE-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.01
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (PubChem CID 53063815) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
PubChem CID53063815
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc(C)cc3)C(=O)C2=O)c1
InChIInChI=1S/C22H23N3O4/c1-15-6-8-17(9-7-15)13-24-10-11-25(22(29)21(24)28)14-20(27)23-19-5-3-4-18(12-19)16(2)26/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,27)
InChIKeyQKBJXAGZXKKZSE-UHFFFAOYSA-N
XLogP2.01
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063837
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-[(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-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063920
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063668
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258558

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (CID 53063815) is N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc(C)cc3)C(=O)C2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The InChIKey is QKBJXAGZXKKZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-6-8-17(9-7-15)13-24-10-11-25(22(29)21(24)28)14-20(27)23-19-5-3-4-18(12-19)16(2)26/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 53063815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).