tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C15H26N2O3 — CID 71304719

IUPACtert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCC1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H26N2O3/c1-5-11-12(18)16-10-15(11)6-8-17(9-7-15)13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeySGLOFEDLCKXPST-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.16
Rot. Bonds1

About tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 71304719) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID71304719
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCC1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H26N2O3/c1-5-11-12(18)16-10-15(11)6-8-17(9-7-15)13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeySGLOFEDLCKXPST-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate
CID 16228837
Tert-butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015184
tert-Butyl 2,7-diazaspiro(4.5)decane-7-carboxylate
CID 23282891
tert-Butyl 1-oxo-2,8-diazaspiro(4.5)decane-8-carboxylate
CID 45073946
tert-Butyl 2,7-diazaspiro[4.5]decane-2-carboxylate
CID 45934304
tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 46835440
tert-Butyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 49760149
1,1-Dimethylethyl 3-(3-piperidinyl)-1-pyrrolidinecarboxylate
CID 58593111
tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 71304662
Tert-butyl 3-oxo-2,9-diazaspiro(5.5)undecane-9-carboxylate
CID 71305780
tert-Butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 71305906
Tert-butyl 4-(5-oxopyrrolidin-3-yl)piperidine-1-carboxylate
CID 75481058

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 71304719) is tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CCC1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is SGLOFEDLCKXPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-11-12(18)16-10-15(11)6-8-17(9-7-15)13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 71304719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).