tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate

C21H36N4O3 — CID 59373498

IUPACtert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
SMILESCCC1=NC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)N1CC
InChIInChI=1S/C21H36N4O3/c1-6-17-22-21(18(26)25(17)7-2)11-8-12-24(15-21)16-9-13-23(14-10-16)19(27)28-20(3,4)5/h16H,6-15H2,1-5H3
InChIKeyMBSWRCJEGNEFQH-UHFFFAOYSA-N
MW392.54 g/mol
LogP2.89
Rot. Bonds3

About tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate

tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate (PubChem CID 59373498) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
PubChem CID59373498
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Nametert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
SMILESCCC1=NC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)N1CC
InChIInChI=1S/C21H36N4O3/c1-6-17-22-21(18(26)25(17)7-2)11-8-12-24(15-21)16-9-13-23(14-10-16)19(27)28-20(3,4)5/h16H,6-15H2,1-5H3
InChIKeyMBSWRCJEGNEFQH-UHFFFAOYSA-N
XLogP2.89
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate
CID 59373374
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl-[3-[4-(3-ethyl-2-methyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]carbamic acid
CID 68666128
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
tert-butyl 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate
CID 45072279
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 140810799
tert-butyl 4-(4-ethoxycarbonylpiperidin-1-yl)azepane-1-carboxylate
CID 123273994
tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate
CID 146498263
tert-butyl 4-(3-methylpiperidin-1-yl)azepane-1-carboxylate
CID 165468989

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate (CID 59373498) is tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate is CCC1=NC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)N1CC.
What is the InChIKey of tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate?
The InChIKey is MBSWRCJEGNEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-6-17-22-21(18(26)25(17)7-2)11-8-12-24(15-21)16-9-13-23(14-10-16)19(27)28-20(3,4)5/h16H,6-15H2,1-5H3.
What are the key properties of tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate?
tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate has a molecular weight of 392.54 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59373498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).