tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate

C23H33FN4O4 — CID 26002248

IUPACtert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C23H33FN4O4/c1-5-6-11-23(17-7-9-18(24)10-8-17)19(29)28(20(30)25-23)16-26-12-14-27(15-13-26)21(31)32-22(2,3)4/h7-10H,5-6,11-16H2,1-4H3,(H,25,30)/t23-/m1/s1
InChIKeyIUYNIPSWIUDBQH-HSZRJFAPSA-N
MW448.54 g/mol
LogP3.27
Rot. Bonds6

About tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate

tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate (PubChem CID 26002248) has the molecular formula C23H33FN4O4 and a molecular weight of 448.54 g/mol. Its IUPAC name is tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate
PubChem CID26002248
Molecular FormulaC23H33FN4O4
Molecular Weight448.54 g/mol
Exact Mass448.25
IUPAC Nametert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C23H33FN4O4/c1-5-6-11-23(17-7-9-18(24)10-8-17)19(29)28(20(30)25-23)16-26-12-14-27(15-13-26)21(31)32-22(2,3)4/h7-10H,5-6,11-16H2,1-4H3,(H,25,30)/t23-/m1/s1
InChIKeyIUYNIPSWIUDBQH-HSZRJFAPSA-N
XLogP3.27
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate 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

(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
tert-butyl 4-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46419163
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
tert-butyl 4-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate
CID 35920548
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
3-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 92510445
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7620682
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7622092
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8522584
(5S)-5-butyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7622401

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate (CID 26002248) is tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate is CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The InChIKey is IUYNIPSWIUDBQH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33FN4O4/c1-5-6-11-23(17-7-9-18(24)10-8-17)19(29)28(20(30)25-23)16-26-12-14-27(15-13-26)21(31)32-22(2,3)4/h7-10H,5-6,11-16H2,1-4H3,(H,25,30)/t23-/m1/s1.
What are the key properties of tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate has a molecular weight of 448.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 26002248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).