tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate

C17H25N3O3 — CID 172575282

IUPACtert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate
SMILESC=C1COC2(CCN(C(=O)OC(C)(C)C)CC2)c2c(C)cnn21
InChIInChI=1S/C17H25N3O3/c1-12-10-18-20-13(2)11-22-17(14(12)20)6-8-19(9-7-17)15(21)23-16(3,4)5/h10H,2,6-9,11H2,1,3-5H3
InChIKeyRFUARNGGXLQAFS-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.92
Rot. Bonds

About tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate

tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate (PubChem CID 172575282) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate
PubChem CID172575282
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate
SMILESC=C1COC2(CCN(C(=O)OC(C)(C)C)CC2)c2c(C)cnn21
InChIInChI=1S/C17H25N3O3/c1-12-10-18-20-13(2)11-22-17(14(12)20)6-8-19(9-7-17)15(21)23-16(3,4)5/h10H,2,6-9,11H2,1,3-5H3
InChIKeyRFUARNGGXLQAFS-UHFFFAOYSA-N
XLogP2.92
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate
CID 172575359
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
CID 69000949
tert-butyl 2-oxospiro[1H-4,1-benzoxazepine-5,4'-piperidine]-1'-carboxylate
CID 71305419
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
tert-butyl 2-oxo-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 146405717
tert-butyl 5-ethyl-6-oxospiro[4,7-dihydro-3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate
CID 68901243
tert-butyl 6-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145372
tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 164762717
tert-butyl 4,4-difluoro-5-methylideneazepane-1-carboxylate
CID 138039661
tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate
CID 146542247
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate?
The IUPAC name of tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate (CID 172575282) is tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate.
What is the SMILES notation for tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate?
The canonical SMILES for tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate is C=C1COC2(CCN(C(=O)OC(C)(C)C)CC2)c2c(C)cnn21.
What is the InChIKey of tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate?
The InChIKey is RFUARNGGXLQAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-10-18-20-13(2)11-22-17(14(12)20)6-8-19(9-7-17)15(21)23-16(3,4)5/h10H,2,6-9,11H2,1,3-5H3.
What are the key properties of tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate?
tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate is sourced from PubChem (CID 172575282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).