2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

C20H26FN5O4 — CID 9020303

IUPAC2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCC[C@]1(C)NC(=O)N(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C20H26FN5O4/c1-3-20(2)18(29)26(19(30)23-20)13-17(28)25-9-7-24(8-10-25)12-16(27)22-15-6-4-5-14(21)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,22,27)(H,23,30)/t20-/m0/s1
InChIKeyGHJLHLRNXBICMI-FQEVSTJZSA-N
MW419.46 g/mol
LogP0.63
Rot. Bonds6

About 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 9020303) has the molecular formula C20H26FN5O4 and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID9020303
Molecular FormulaC20H26FN5O4
Molecular Weight419.46 g/mol
Exact Mass419.20
IUPAC Name2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCC[C@]1(C)NC(=O)N(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C20H26FN5O4/c1-3-20(2)18(29)26(19(30)23-20)13-17(28)25-9-7-24(8-10-25)12-16(27)22-15-6-4-5-14(21)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,22,27)(H,23,30)/t20-/m0/s1
InChIKeyGHJLHLRNXBICMI-FQEVSTJZSA-N
XLogP0.63
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide 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

N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide
CID 18569566
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
2-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020191
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020095
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 9020303) is 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)C1=O.
What is the InChIKey of 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is GHJLHLRNXBICMI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26FN5O4/c1-3-20(2)18(29)26(19(30)23-20)13-17(28)25-9-7-24(8-10-25)12-16(27)22-15-6-4-5-14(21)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,22,27)(H,23,30)/t20-/m0/s1.
What are the key properties of 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 419.46 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9020303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).