ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate

C20H23ClFN3O5 — CID 56520131

IUPACethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)C1
InChIInChI=1S/C20H23ClFN3O5/c1-3-30-17(27)12-5-4-8-24(10-12)16(26)11-25-18(28)20(2,23-19(25)29)14-7-6-13(22)9-15(14)21/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,23,29)
InChIKeyQCQBQQZCHIZUPY-UHFFFAOYSA-N
MW439.87 g/mol
LogP2.05
Rot. Bonds5

About ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate (PubChem CID 56520131) has the molecular formula C20H23ClFN3O5 and a molecular weight of 439.87 g/mol. Its IUPAC name is ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate
PubChem CID56520131
Molecular FormulaC20H23ClFN3O5
Molecular Weight439.87 g/mol
Exact Mass439.13
IUPAC Nameethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)C1
InChIInChI=1S/C20H23ClFN3O5/c1-3-30-17(27)12-5-4-8-24(10-12)16(26)11-25-18(28)20(2,23-19(25)29)14-7-6-13(22)9-15(14)21/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,23,29)
InChIKeyQCQBQQZCHIZUPY-UHFFFAOYSA-N
XLogP2.05
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 52.05
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

ethyl 1-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 55374775
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2703018
3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4804699
2-[(4S)-4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylacetamide
CID 95148221
(5S)-5-(2-chlorophenyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 2702291
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
ethyl 5-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 56517956
ethyl 1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylate
CID 86921483
methyl 1-[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 7801396
ethyl (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylate
CID 81338507
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470
ethyl (3R)-1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 81338657

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate (CID 56520131) is ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)C1.
What is the InChIKey of ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate?
The InChIKey is QCQBQQZCHIZUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O5/c1-3-30-17(27)12-5-4-8-24(10-12)16(26)11-25-18(28)20(2,23-19(25)29)14-7-6-13(22)9-15(14)21/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,23,29).
What are the key properties of ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate has a molecular weight of 439.87 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 56520131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).