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

C22H25N3O3 — CID 53063930

IUPACN-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)N(C)Cc3ccccc3)C(=O)C2=O)c1
InChIInChI=1S/C22H25N3O3/c1-17-7-6-10-19(13-17)15-24-11-12-25(22(28)21(24)27)16-20(26)23(2)14-18-8-4-3-5-9-18/h3-10,13H,11-12,14-16H2,1-2H3
InChIKeyFQYORHGEGPOWMU-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.82
Rot. Bonds6

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

N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (PubChem CID 53063930) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
PubChem CID53063930
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)N(C)Cc3ccccc3)C(=O)C2=O)c1
InChIInChI=1S/C22H25N3O3/c1-17-7-6-10-19(13-17)15-24-11-12-25(22(28)21(24)27)16-20(26)23(2)14-18-8-4-3-5-9-18/h3-10,13H,11-12,14-16H2,1-2H3
InChIKeyFQYORHGEGPOWMU-UHFFFAOYSA-N
XLogP1.82
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063770
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-[(3-methylphenyl)methyl]piperazine-2,3-dione
CID 53063951
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049754
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063982
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-[(3-methylphenyl)methyl]piperazine-2,3-dione
CID 53063986
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
N-benzyl-N-methyl-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 6600908
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063920
N-(3-aminopropyl)-N-benzyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 120649665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (CID 53063930) is N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)N(C)Cc3ccccc3)C(=O)C2=O)c1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The InChIKey is FQYORHGEGPOWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-17-7-6-10-19(13-17)15-24-11-12-25(22(28)21(24)27)16-20(26)23(2)14-18-8-4-3-5-9-18/h3-10,13H,11-12,14-16H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 53063930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).