tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate

C18H28N2O4 — CID 68901243

IUPACtert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate
SMILESCCN1CC2=C(CC1=O)C1(CCN(C(=O)OC(C)(C)C)CC1)OC2
InChIInChI=1S/C18H28N2O4/c1-5-19-11-13-12-23-18(14(13)10-15(19)21)6-8-20(9-7-18)16(22)24-17(2,3)4/h5-12H2,1-4H3
InChIKeyOEJUWPMGGHAFBT-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.34
Rot. Bonds1

About tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate

tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate (PubChem CID 68901243) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate
PubChem CID68901243
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate
SMILESCCN1CC2=C(CC1=O)C1(CCN(C(=O)OC(C)(C)C)CC1)OC2
InChIInChI=1S/C18H28N2O4/c1-5-19-11-13-12-23-18(14(13)10-15(19)21)6-8-20(9-7-18)16(22)24-17(2,3)4/h5-12H2,1-4H3
InChIKeyOEJUWPMGGHAFBT-UHFFFAOYSA-N
XLogP2.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 154237182
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
tert-butyl 2-oxospiro[1H-4,1-benzoxazepine-5,4'-piperidine]-1'-carboxylate
CID 71305419
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4,4-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 86719232
tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
CID 69000949
tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate
CID 172575282
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
CID 170354095

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate (CID 68901243) is tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate is CCN1CC2=C(CC1=O)C1(CCN(C(=O)OC(C)(C)C)CC1)OC2.
What is the InChIKey of tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate?
The InChIKey is OEJUWPMGGHAFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-19-11-13-12-23-18(14(13)10-15(19)21)6-8-20(9-7-18)16(22)24-17(2,3)4/h5-12H2,1-4H3.
What are the key properties of tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate?
tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate has a molecular weight of 336.43 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 68901243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).