tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

C21H36N2O3 — CID 167657962

IUPACtert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CN(CC3CC(OC4CCCCC4)C3)C2)C1
InChIInChI=1S/C21H36N2O3/c1-20(2,3)26-19(24)23-14-21(15-23)12-22(13-21)11-16-9-18(10-16)25-17-7-5-4-6-8-17/h16-18H,4-15H2,1-3H3
InChIKeyDWEJFVUZAPVYAA-UHFFFAOYSA-N
MW364.53 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 167657962) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID167657962
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Nametert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CN(CC3CC(OC4CCCCC4)C3)C2)C1
InChIInChI=1S/C21H36N2O3/c1-20(2,3)26-19(24)23-14-21(15-23)12-22(13-21)11-16-9-18(10-16)25-17-7-5-4-6-8-17/h16-18H,4-15H2,1-3H3
InChIKeyDWEJFVUZAPVYAA-UHFFFAOYSA-N
XLogP3.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172586842
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
tert-butyl 3-bromo-4-cyclohexyloxypyrrolidine-1-carboxylate
CID 114772442
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl (4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate
CID 129294531
tert-butyl 4-[(1-cyclohexylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 166459229
tert-butyl 4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 174199243
tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 169161321
tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 68969463

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 167657962) is tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CN(CC3CC(OC4CCCCC4)C3)C2)C1.
What is the InChIKey of tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is DWEJFVUZAPVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-20(2,3)26-19(24)23-14-21(15-23)12-22(13-21)11-16-9-18(10-16)25-17-7-5-4-6-8-17/h16-18H,4-15H2,1-3H3.
What are the key properties of tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 364.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 167657962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).