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

C16H28N2O3 — CID 71304665

IUPACtert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCCC1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H28N2O3/c1-5-6-12-13(19)17-11-16(12)7-9-18(10-8-16)14(20)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyYHPPAXLWMBXWNR-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.55
Rot. Bonds2

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

tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 71304665) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID71304665
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCCC1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H28N2O3/c1-5-6-12-13(19)17-11-16(12)7-9-18(10-8-16)14(20)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyYHPPAXLWMBXWNR-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 71304665) is tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate is CCCC1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is YHPPAXLWMBXWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-6-12-13(19)17-11-16(12)7-9-18(10-8-16)14(20)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 71304665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).