ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate

C16H25N3O4 — CID 9281878

IUPACethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1
InChIInChI=1S/C16H25N3O4/c1-3-23-13(20)11-6-8-18(9-7-11)10-19-14(21)16(2,12-4-5-12)17-15(19)22/h11-12H,3-10H2,1-2H3,(H,17,22)/t16-/m1/s1
InChIKeyFKTOZRLGRYKJJB-MRXNPFEDSA-N
MW323.39 g/mol
LogP0.94
Rot. Bonds5

About ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate (PubChem CID 9281878) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate
PubChem CID9281878
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nameethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1
InChIInChI=1S/C16H25N3O4/c1-3-23-13(20)11-6-8-18(9-7-11)10-19-14(21)16(2,12-4-5-12)17-15(19)22/h11-12H,3-10H2,1-2H3,(H,17,22)/t16-/m1/s1
InChIKeyFKTOZRLGRYKJJB-MRXNPFEDSA-N
XLogP0.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[(5,5-dimethyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)methyl]piperidine-4-carboxylate
CID 1202162
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9193268
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
CID 60886735
ethyl 1-[[(2S)-2-methyloxiran-2-yl]methyl]piperidine-4-carboxylate
CID 86604813
(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9235504
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119644656
ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
CID 62026129
(1-cyclopropylcyclopropyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 102559296
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate (CID 9281878) is ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1.
What is the InChIKey of ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate?
The InChIKey is FKTOZRLGRYKJJB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-3-23-13(20)11-6-8-18(9-7-11)10-19-14(21)16(2,12-4-5-12)17-15(19)22/h11-12H,3-10H2,1-2H3,(H,17,22)/t16-/m1/s1.
What are the key properties of ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 9281878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).