ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate

C19H27N3O7 — CID 8653445

IUPACethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H27N3O7/c1-2-28-16(25)13-7-3-6-10-21(13)14(23)12-29-15(24)11-22-17(26)19(20-18(22)27)8-4-5-9-19/h13H,2-12H2,1H3,(H,20,27)/t13-/m1/s1
InChIKeyZIQJWVDSCRPLIJ-CYBMUJFWSA-N
MW409.44 g/mol
LogP0.34
Rot. Bonds6

About ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate

ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate (PubChem CID 8653445) has the molecular formula C19H27N3O7 and a molecular weight of 409.44 g/mol. Its IUPAC name is ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate
PubChem CID8653445
Molecular FormulaC19H27N3O7
Molecular Weight409.44 g/mol
Exact Mass409.18
IUPAC Nameethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H27N3O7/c1-2-28-16(25)13-7-3-6-10-21(13)14(23)12-29-15(24)11-22-17(26)19(20-18(22)27)8-4-5-9-19/h13H,2-12H2,1H3,(H,20,27)/t13-/m1/s1
InChIKeyZIQJWVDSCRPLIJ-CYBMUJFWSA-N
XLogP0.34
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822123
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710954
ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate
CID 78911693
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709979
ethyl 1-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]oxyacetyl]piperidine-2-carboxylate
CID 55401908
ethyl 1-[2-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyloxy]acetyl]piperidine-2-carboxylate
CID 55473443
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708959
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708962
ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate
CID 102655936
ethyl 1-(1-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 60952886
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821480

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate (CID 8653445) is ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate?
The InChIKey is ZIQJWVDSCRPLIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N3O7/c1-2-28-16(25)13-7-3-6-10-21(13)14(23)12-29-15(24)11-22-17(26)19(20-18(22)27)8-4-5-9-19/h13H,2-12H2,1H3,(H,20,27)/t13-/m1/s1.
What are the key properties of ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate?
ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 8653445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).