ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate

C19H24N4O5 — CID 91821962

IUPACethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC2NC(=O)N(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C19H24N4O5/c1-2-28-19(27)22-10-8-21(9-11-22)16(24)12-15-17(25)23(18(26)20-15)13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,26)
InChIKeyRHJZGFBFWXIRQT-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.80
Rot. Bonds5

About ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate (PubChem CID 91821962) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
PubChem CID91821962
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Nameethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC2NC(=O)N(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C19H24N4O5/c1-2-28-19(27)22-10-8-21(9-11-22)16(24)12-15-17(25)23(18(26)20-15)13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,26)
InChIKeyRHJZGFBFWXIRQT-UHFFFAOYSA-N
XLogP0.80
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.80
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 4-[3-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoyl]piperazine-1-carboxylate
CID 91821646
(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 124861250
tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
CID 124854382
ethyl 1-[2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]piperidine-4-carboxylate
CID 29140144
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 75490912
(5S)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 91640441
(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124860685
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523
3-[(3,4-dimethoxyphenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 75532001
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 91823187
ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate
CID 84576657
N-(1-benzylpiperidin-4-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490538

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate (CID 91821962) is ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC2NC(=O)N(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is RHJZGFBFWXIRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-2-28-19(27)22-10-8-21(9-11-22)16(24)12-15-17(25)23(18(26)20-15)13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,26).
What are the key properties of ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 91821962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).