tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C18H26N4O3 — CID 171627167

IUPACtert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cncc(N)c1)C2=O
InChIInChI=1S/C18H26N4O3/c1-17(2,3)25-16(24)21-7-4-18(5-8-21)6-9-22(15(18)23)14-10-13(19)11-20-12-14/h10-12H,4-9,19H2,1-3H3
InChIKeyAAOLLHNTDUNRDG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 171627167) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID171627167
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nametert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cncc(N)c1)C2=O
InChIInChI=1S/C18H26N4O3/c1-17(2,3)25-16(24)21-7-4-18(5-8-21)6-9-22(15(18)23)14-10-13(19)11-20-12-14/h10-12H,4-9,19H2,1-3H3
InChIKeyAAOLLHNTDUNRDG-UHFFFAOYSA-N
XLogP2.42
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382
tert-butyl 2-(5-methylsulfonyl-2-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 121483419
tert-butyl 2-oxo-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 146405717
tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709471
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl 2-[4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 46208234
tert-butyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 14371816
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 155388346
[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-pyridinyl]boronic acid
CID 171482287
tert-butyl 2-[(2-aminophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 45074121
tert-butyl (2S,5S)-2-(5-amino-3-pyridinyl)-5-methylpyrrolidine-1-carboxylate
CID 172594213

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 171627167) is tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cncc(N)c1)C2=O.
What is the InChIKey of tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is AAOLLHNTDUNRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-17(2,3)25-16(24)21-7-4-18(5-8-21)6-9-22(15(18)23)14-10-13(19)11-20-12-14/h10-12H,4-9,19H2,1-3H3.
What are the key properties of tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 171627167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).