tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate

C17H23N3O4 — CID 71748542

IUPACtert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)OC1(CCNCC1)NC2=O
InChIInChI=1S/C17H23N3O4/c1-16(2,3)24-15(22)19-11-4-5-12-13(10-11)23-17(20-14(12)21)6-8-18-9-7-17/h4-5,10,18H,6-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeySNKUUMCZRVNTKK-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.24
Rot. Bonds1

About tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate

tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate (PubChem CID 71748542) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate
PubChem CID71748542
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nametert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)OC1(CCNCC1)NC2=O
InChIInChI=1S/C17H23N3O4/c1-16(2,3)24-15(22)19-11-4-5-12-13(10-11)23-17(20-14(12)21)6-8-18-9-7-17/h4-5,10,18H,6-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeySNKUUMCZRVNTKK-UHFFFAOYSA-N
XLogP2.24
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enoate;hydrochloride
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tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
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tert-butyl N-[3-cyano-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]carbamate
CID 59443032
N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride
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tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate
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tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate
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tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate
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tert-butyl N-[1,1,1',1'-tetramethyl-5'-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3'-spirobi[2H-indene]-5-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate?
The IUPAC name of tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate (CID 71748542) is tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)OC1(CCNCC1)NC2=O.
What is the InChIKey of tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate?
The InChIKey is SNKUUMCZRVNTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-16(2,3)24-15(22)19-11-4-5-12-13(10-11)23-17(20-14(12)21)6-8-18-9-7-17/h4-5,10,18H,6-9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate?
tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate has a molecular weight of 333.39 g/mol, XLogP of 2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate is sourced from PubChem (CID 71748542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).