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

C19H32N4O3 — CID 59373410

IUPACtert-butyl 4-(2-ethyl-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)N1
InChIInChI=1S/C19H32N4O3/c1-5-15-20-16(24)19(21-15)9-6-10-23(13-19)14-7-11-22(12-8-14)17(25)26-18(2,3)4/h14H,5-13H2,1-4H3,(H,20,21,24)
InChIKeyHWGJGLXJHBIOHF-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.16
Rot. Bonds2

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

tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate (PubChem CID 59373410) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
PubChem CID59373410
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Nametert-butyl 4-(2-ethyl-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)N1
InChIInChI=1S/C19H32N4O3/c1-5-15-20-16(24)19(21-15)9-6-10-23(13-19)14-7-11-22(12-8-14)17(25)26-18(2,3)4/h14H,5-13H2,1-4H3,(H,20,21,24)
InChIKeyHWGJGLXJHBIOHF-UHFFFAOYSA-N
XLogP2.16
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate (CID 59373410) is tert-butyl 4-(2-ethyl-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-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethyl-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)N1.
What is the InChIKey of tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate?
The InChIKey is HWGJGLXJHBIOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-5-15-20-16(24)19(21-15)9-6-10-23(13-19)14-7-11-22(12-8-14)17(25)26-18(2,3)4/h14H,5-13H2,1-4H3,(H,20,21,24).
What are the key properties of tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59373410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).