tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate

C18H26N2O2 — CID 66888528

IUPACtert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C2(CC2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-11-12-20(18(14-19)9-10-18)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyCGVJJNCZXFLRHA-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.27
Rot. Bonds2

About tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate

tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate (PubChem CID 66888528) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
PubChem CID66888528
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C2(CC2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-11-12-20(18(14-19)9-10-18)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyCGVJJNCZXFLRHA-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
CID 138109545
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
tert-butyl 5-benzyl-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
CID 122235278
tert-butyl 8-benzyl-1-methyl-1,3,8-triazaspiro[4.5]decane-3-carboxylate
CID 10641269
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 9-benzyl-2,9-diazaspiro[4.6]undecane-2-carboxylate
CID 59818863
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681969
tert-butyl 7-benzyl-3,7,10-triazatricyclo[3.3.3.01,5]undecane-3-carboxylate
CID 146675367
tert-butyl 4-benzyl-1,4-diazepane-1-carboxylate;ethane
CID 170594815
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate?
The IUPAC name of tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate (CID 66888528) is tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate.
What is the SMILES notation for tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate?
The canonical SMILES for tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C2(CC2)C1.
What is the InChIKey of tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate?
The InChIKey is CGVJJNCZXFLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-11-12-20(18(14-19)9-10-18)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate?
tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate is sourced from PubChem (CID 66888528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).