tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C17H30N2O4 — CID 6473704

IUPACtert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCOCC1)CO2
InChIInChI=1S/C17H30N2O4/c1-16(2,3)23-15(20)19-6-4-17(5-7-19)12-14(13-22-17)18-8-10-21-11-9-18/h14H,4-13H2,1-3H3
InChIKeySFDYVVMGJJRXDK-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.88
Rot. Bonds1

About tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 6473704) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID6473704
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCOCC1)CO2
InChIInChI=1S/C17H30N2O4/c1-16(2,3)23-15(20)19-6-4-17(5-7-19)12-14(13-22-17)18-8-10-21-11-9-18/h14H,4-13H2,1-3H3
InChIKeySFDYVVMGJJRXDK-UHFFFAOYSA-N
XLogP1.88
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(Dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704527
3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-8-(tetrahydro-2H-pyran-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70710659
3-(3-methylbutyl)-8-(tetrahydro-2H-pyran-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718439
3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-8-(tetrahydro-2H-pyran-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70784007
Tert-butyl 4-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 105511886
Tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 46835582
tert-butyl (3S,5R,6S)-6-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 125453122
tert-butyl (3S,5R,6R)-6-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 125453132
tert-butyl (3S,5S,6R)-6-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 125453134
tert-butyl (3S,5S,6S)-6-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 125453137
tert-Butyl 3-{[(tert-butoxy)carbonyl](methyl)amino}-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 137702870
Tert-butyl 3-(1,4'-bipiperidin-1'-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 6473694

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 6473704) is tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCOCC1)CO2.
What is the InChIKey of tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is SFDYVVMGJJRXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-16(2,3)23-15(20)19-6-4-17(5-7-19)12-14(13-22-17)18-8-10-21-11-9-18/h14H,4-13H2,1-3H3.
What are the key properties of tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 6473704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).