tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride

C35H61ClN4O6 — CID 175929643

IUPACtert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride
SMILESC1CC2(CCN1)CC(N1CCC3(CCOC3)C1)CO2.CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCC3(CCOC3)C1)CO2.Cl
InChIInChI=1S/C20H34N2O4.C15H26N2O2.ClH/c1-18(2,3)26-17(23)21-9-5-20(6-10-21)12-16(13-25-20)22-8-4-19(14-22)7-11-24-15-19;1-5-16-6-2-15(1)9-13(10-19-15)17-7-3-14(11-17)4-8-18-12-14;/h16H,4-15H2,1-3H3;13,16H,1-12H2;1H
InChIKeyFXJZGIWRGHIQNT-UHFFFAOYSA-N
MW669.35 g/mol
LogP4.09
Rot. Bonds2

About tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride

tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride (PubChem CID 175929643) has the molecular formula C35H61ClN4O6 and a molecular weight of 669.35 g/mol. Its IUPAC name is tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride
PubChem CID175929643
Molecular FormulaC35H61ClN4O6
Molecular Weight669.35 g/mol
Exact Mass668.43
IUPAC Nametert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride
SMILESC1CC2(CCN1)CC(N1CCC3(CCOC3)C1)CO2.CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCC3(CCOC3)C1)CO2.Cl
InChIInChI=1S/C20H34N2O4.C15H26N2O2.ClH/c1-18(2,3)26-17(23)21-9-5-20(6-10-21)12-16(13-25-20)22-8-4-19(14-22)7-11-24-15-19;1-5-16-6-2-15(1)9-13(10-19-15)17-7-3-14(11-17)4-8-18-12-14;/h16H,4-15H2,1-3H3;13,16H,1-12H2;1H
InChIKeyFXJZGIWRGHIQNT-UHFFFAOYSA-N
XLogP4.09
TPSA84.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride with MolForge

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Related Compounds

tert-butyl 4-(1-oxa-8-azaspiro[4.5]decan-3-yl)piperazine-1-carboxylate
CID 171767821
(2-methylpropan-2-yl)oxy-[3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanol
CID 169144269
tert-butyl 4-(oxan-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 169160969
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
tert-butyl 3-morpholin-4-yl-8-azaspiro[4.5]decane-8-carboxylate
CID 169144108
tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 71565256
1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 17088050
tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 155896173
tert-butyl 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 140810799
tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
CID 71305747
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride (CID 175929643) is tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride is C1CC2(CCN1)CC(N1CCC3(CCOC3)C1)CO2.CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCC3(CCOC3)C1)CO2.Cl.
What is the InChIKey of tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The InChIKey is FXJZGIWRGHIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4.C15H26N2O2.ClH/c1-18(2,3)26-17(23)21-9-5-20(6-10-21)12-16(13-25-20)22-8-4-19(14-22)7-11-24-15-19;1-5-16-6-2-15(1)9-13(10-19-15)17-7-3-14(11-17)4-8-18-12-14;/h16H,4-15H2,1-3H3;13,16H,1-12H2;1H.
What are the key properties of tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride has a molecular weight of 669.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 175929643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).