ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate

C18H27N3O5 — CID 2495014

IUPACethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C18H27N3O5/c1-2-26-15(23)13-6-10-20(11-7-13)14(22)12-21-16(24)18(19-17(21)25)8-4-3-5-9-18/h13H,2-12H2,1H3,(H,19,25)
InChIKeyJUMMEUCDIBKPEI-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.04
Rot. Bonds4

About ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate (PubChem CID 2495014) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
PubChem CID2495014
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Nameethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C18H27N3O5/c1-2-26-15(23)13-6-10-20(11-7-13)14(22)12-21-16(24)18(19-17(21)25)8-4-3-5-9-18/h13H,2-12H2,1H3,(H,19,25)
InChIKeyJUMMEUCDIBKPEI-UHFFFAOYSA-N
XLogP1.04
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate with MolForge

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Related Compounds

Methyl 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2085375
8-Methyl-3-(2-morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2425574
3-(2-Morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2450111
Methyl 1-[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 4329589
Ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]butanoate
CID 2578452
Ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate
CID 3230434
Ethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 4880073
Ethyl 4-(2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl)piperazine-1-carboxylate
CID 16812329
Tert-butyl 4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate
CID 17393950
Ethyl 4-cyclohexyl-1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidine-4-carboxylate
CID 172434863
3-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622709
3-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 45644278

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate (CID 2495014) is ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is JUMMEUCDIBKPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-2-26-15(23)13-6-10-20(11-7-13)14(22)12-21-16(24)18(19-17(21)25)8-4-3-5-9-18/h13H,2-12H2,1H3,(H,19,25).
What are the key properties of ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 2495014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).