tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate

C18H27N3O4 — CID 66920478

IUPACtert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
SMILESCCc1c2c(nn1C)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2
InChIInChI=1S/C18H27N3O4/c1-6-12-15-14(19-20(12)5)13(22)11-18(24-15)7-9-21(10-8-18)16(23)25-17(2,3)4/h6-11H2,1-5H3
InChIKeyWYBLIQINZCSZPL-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.72
Rot. Bonds1

About tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate

tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 66920478) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
PubChem CID66920478
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
SMILESCCc1c2c(nn1C)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2
InChIInChI=1S/C18H27N3O4/c1-6-12-15-14(19-20(12)5)13(22)11-18(24-15)7-9-21(10-8-18)16(23)25-17(2,3)4/h6-11H2,1-5H3
InChIKeyWYBLIQINZCSZPL-UHFFFAOYSA-N
XLogP2.72
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-bromo-1-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
CID 177063178
tert-butyl 2,4-dioxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 155577232
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613
tert-butyl 4-oxo-6-(2-sulfanylpropan-2-yl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 146175359
9-O-tert-butyl 3-O-ethyl 4-hydroxy-2-oxo-1-oxa-9-azaspiro[5.5]undec-3-ene-3,9-dicarboxylate
CID 155577249
tert-butyl 4-oxospiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-1'-carboxylate
CID 126638043
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl 7-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143029871
tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 10402316
tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221
tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate
CID 58134908

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate (CID 66920478) is tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate is CCc1c2c(nn1C)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2.
What is the InChIKey of tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is WYBLIQINZCSZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-6-12-15-14(19-20(12)5)13(22)11-18(24-15)7-9-21(10-8-18)16(23)25-17(2,3)4/h6-11H2,1-5H3.
What are the key properties of tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-2-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 66920478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).