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

C22H24FN3O3 — CID 46397162

IUPACN-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide
SMILESCc1ccc(CN2CCN(CC(C)C(=O)Nc3ccc(F)cc3)C(=O)C2=O)cc1
InChIInChI=1S/C22H24FN3O3/c1-15-3-5-17(6-4-15)14-26-12-11-25(21(28)22(26)29)13-16(2)20(27)24-19-9-7-18(23)8-10-19/h3-10,16H,11-14H2,1-2H3,(H,24,27)
InChIKeyOEOOYWHIVKARCW-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.58
Rot. Bonds6

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

N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide (PubChem CID 46397162) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide
PubChem CID46397162
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide
SMILESCc1ccc(CN2CCN(CC(C)C(=O)Nc3ccc(F)cc3)C(=O)C2=O)cc1
InChIInChI=1S/C22H24FN3O3/c1-15-3-5-17(6-4-15)14-26-12-11-25(21(28)22(26)29)13-16(2)20(27)24-19-9-7-18(23)8-10-19/h3-10,16H,11-14H2,1-2H3,(H,24,27)
InChIKeyOEOOYWHIVKARCW-UHFFFAOYSA-N
XLogP2.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(2,5-difluorophenyl)methyl]-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide
CID 94091799
(2R)-N-[(3-fluorophenyl)methyl]-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide
CID 94091793
(2S)-N-[(2-fluorophenyl)methyl]-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide
CID 94091802
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063836
(2R)-N-(3,5-dimethylphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056448
(2R)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(4-methoxyphenyl)butanamide
CID 93056364
(2R)-N-(4-ethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056412
N-[(2S)-butan-2-yl]-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 95092870
N-butan-2-yl-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 53135645
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
N-(4-chlorophenyl)-4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 20955920
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide (CID 46397162) is N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide is Cc1ccc(CN2CCN(CC(C)C(=O)Nc3ccc(F)cc3)C(=O)C2=O)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide?
The InChIKey is OEOOYWHIVKARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15-3-5-17(6-4-15)14-26-12-11-25(21(28)22(26)29)13-16(2)20(27)24-19-9-7-18(23)8-10-19/h3-10,16H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide?
N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide has a molecular weight of 397.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-3-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]propanamide is sourced from PubChem (CID 46397162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).