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

C20H26FN5O4 — CID 9405113

IUPACN-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide
SMILESCN1CC(=O)N(CCCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C20H26FN5O4/c1-23-14-19(29)26(20(23)30)8-2-3-18(28)25-11-9-24(10-12-25)13-17(27)22-16-6-4-15(21)5-7-16/h4-7H,2-3,8-14H2,1H3,(H,22,27)
InChIKeyNTHLPCLMSKQSPD-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.58
Rot. Bonds7

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

N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide (PubChem CID 9405113) has the molecular formula C20H26FN5O4 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide
PubChem CID9405113
Molecular FormulaC20H26FN5O4
Molecular Weight419.46 g/mol
Exact Mass419.20
IUPAC NameN-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide
SMILESCN1CC(=O)N(CCCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C20H26FN5O4/c1-23-14-19(29)26(20(23)30)8-2-3-18(28)25-11-9-24(10-12-25)13-17(27)22-16-6-4-15(21)5-7-16/h4-7H,2-3,8-14H2,1H3,(H,22,27)
InChIKeyNTHLPCLMSKQSPD-UHFFFAOYSA-N
XLogP0.58
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9405198
3-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 55434992
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749262
N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 27021666
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
2-[4-[2-(2,6-dimethylanilino)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 78822996
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 78864304
N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 55733574
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-2-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]acetamide
CID 9021895

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide (CID 9405113) is N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide is CN1CC(=O)N(CCCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide?
The InChIKey is NTHLPCLMSKQSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O4/c1-23-14-19(29)26(20(23)30)8-2-3-18(28)25-11-9-24(10-12-25)13-17(27)22-16-6-4-15(21)5-7-16/h4-7H,2-3,8-14H2,1H3,(H,22,27).
What are the key properties of N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide has a molecular weight of 419.46 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9405113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).