ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate

C22H36N4O5 — CID 33078430

IUPACethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1
InChIInChI=1S/C22H36N4O5/c1-5-31-20(30)25-12-8-16(9-13-25)23-17(27)14-26-18(28)22(24-19(26)29)10-6-15(7-11-22)21(2,3)4/h15-16H,5-14H2,1-4H3,(H,23,27)(H,24,29)
InChIKeySJFZSYJQQXZHNU-UHFFFAOYSA-N
MW436.55 g/mol
LogP2.25
Rot. Bonds4

About ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 33078430) has the molecular formula C22H36N4O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID33078430
Molecular FormulaC22H36N4O5
Molecular Weight436.55 g/mol
Exact Mass436.27
IUPAC Nameethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1
InChIInChI=1S/C22H36N4O5/c1-5-31-20(30)25-12-8-16(9-13-25)23-17(27)14-26-18(28)22(24-19(26)29)10-6-15(7-11-22)21(2,3)4/h15-16H,5-14H2,1-4H3,(H,23,27)(H,24,29)
InChIKeySJFZSYJQQXZHNU-UHFFFAOYSA-N
XLogP2.25
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-(2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl)piperazine-1-carboxylate
CID 16812329
N-(sec-butyl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamide
CID 45607067
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(2-methoxyethyl)acetamide
CID 45607068
8-(Tert-butyl)-3-(2-morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 45607099
2-{8-Tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-YL}-N-cyclohexylacetamide
CID 45607177
8-Tert-butyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 45607192
8-Tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 45607194
Ethyl 4-(2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-YL}acetamido)piperidine-1-carboxylate
CID 51215115
Ethyl 4-(2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-YL}acetamido)piperidine-1-carboxylate
CID 83273608
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-isopropylacetamide
CID 84601490
8-Tert-butyl-3-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 49070725
8-Tert-butyl-3-(piperidin-1-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8132411

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 33078430) is ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1.
What is the InChIKey of ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is SJFZSYJQQXZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O5/c1-5-31-20(30)25-12-8-16(9-13-25)23-17(27)14-26-18(28)22(24-19(26)29)10-6-15(7-11-22)21(2,3)4/h15-16H,5-14H2,1-4H3,(H,23,27)(H,24,29).
What are the key properties of ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 436.55 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 33078430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).