tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate

C18H24N2O4 — CID 91268486

IUPACtert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate
SMILESCc1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C1(CCNCC1)O2
InChIInChI=1S/C18H24N2O4/c1-12-5-6-14-13(11-12)15(21)20(16(22)24-17(2,3)4)18(23-14)7-9-19-10-8-18/h5-6,11,19H,7-10H2,1-4H3
InChIKeyVGUZHAXXGKEFNS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.84
Rot. Bonds

About tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate

tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate (PubChem CID 91268486) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate
PubChem CID91268486
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nametert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate
SMILESCc1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C1(CCNCC1)O2
InChIInChI=1S/C18H24N2O4/c1-12-5-6-14-13(11-12)15(21)20(16(22)24-17(2,3)4)18(23-14)7-9-19-10-8-18/h5-6,11,19H,7-10H2,1-4H3
InChIKeyVGUZHAXXGKEFNS-UHFFFAOYSA-N
XLogP2.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

tert-butyl (2S)-6-methyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451955
methyl 3-(3-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enoate
CID 66932522
tert-butyl 5-methyl-3-oxo-1H-isoindole-2-carboxylate
CID 163719423
tert-butyl 3-(diethoxymethyl)-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 123205990
3-(2H-benzotriazole-5-carbonyl)-6-bromospiro[1,3-benzoxazine-2,4'-piperidine]-4-one
CID 67119659
N-[3-(1H-benzimidazole-2-carbonyl)-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-6-yl]acetamide
CID 67119785
3-(3H-benzimidazole-5-carbonyl)-6-bromospiro[1,3-benzoxazine-2,4'-piperidine]-4-one
CID 67119746
tert-butyl 6-methyl-1,1,4-trioxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate
CID 59311916
tert-butyl 3,5'-dioxospiro[isoindole-1,2'-oxolane]-2-carboxylate
CID 138971207
tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 67979785
tert-butyl 4-oxo-6-(2-sulfanylpropan-2-yl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 146175359
3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxospiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enoic acid
CID 77221189

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate?
The IUPAC name of tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate (CID 91268486) is tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate is Cc1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C1(CCNCC1)O2.
What is the InChIKey of tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate?
The InChIKey is VGUZHAXXGKEFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-5-6-14-13(11-12)15(21)20(16(22)24-17(2,3)4)18(23-14)7-9-19-10-8-18/h5-6,11,19H,7-10H2,1-4H3.
What are the key properties of tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate?
tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate is sourced from PubChem (CID 91268486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).