tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate

C17H27N3O3 — CID 172575359

IUPACtert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate
SMILESCc1cnn2c1C1(CCN(C(=O)OC(C)(C)C)CC1)OC[C@H]2C
InChIInChI=1S/C17H27N3O3/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/h10,13H,6-9,11H2,1-5H3/t13-/m1/s1
InChIKeyANCJYWBWZQERBE-CYBMUJFWSA-N
MW321.42 g/mol
LogP3.01
Rot. Bonds

About tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate

tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate (PubChem CID 172575359) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate
PubChem CID172575359
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate
SMILESCc1cnn2c1C1(CCN(C(=O)OC(C)(C)C)CC1)OC[C@H]2C
InChIInChI=1S/C17H27N3O3/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/h10,13H,6-9,11H2,1-5H3/t13-/m1/s1
InChIKeyANCJYWBWZQERBE-CYBMUJFWSA-N
XLogP3.01
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate with MolForge

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Related Compounds

tert-butyl 3'-methyl-7'-methylidenespiro[piperidine-4,4'-pyrazolo[5,1-c][1,4]oxazine]-1-carboxylate
CID 172575282
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
CID 69000949
tert-butyl 4-(1-cyclopropyl-4-methylpyrazol-5-yl)-3,3-dimethylpiperidine-1-carboxylate
CID 171506360
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-[[(2,5-dimethyl-4-pyridinyl)amino]methyl]-4-phosphanylpiperidine-1-carboxylate
CID 143784587
tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate
CID 172630737
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
tert-butyl 4-acetamido-3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 156900373

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate (CID 172575359) is tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate is Cc1cnn2c1C1(CCN(C(=O)OC(C)(C)C)CC1)OC[C@H]2C.
What is the InChIKey of tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate?
The InChIKey is ANCJYWBWZQERBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O3/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/h10,13H,6-9,11H2,1-5H3/t13-/m1/s1.
What are the key properties of tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate?
tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 172575359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).