6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

C17H23BrN2O3 — CID 126472090

IUPAC6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC2(CC1)OCc1cc(Br)ccc1O2
InChIInChI=1S/C17H23BrN2O3/c1-16(2,3)19-15(21)20-8-6-17(7-9-20)22-11-12-10-13(18)4-5-14(12)23-17/h4-5,10H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyFVOZTKNGZBDQJP-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.66
Rot. Bonds

About 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide (PubChem CID 126472090) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
PubChem CID126472090
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC Name6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC2(CC1)OCc1cc(Br)ccc1O2
InChIInChI=1S/C17H23BrN2O3/c1-16(2,3)19-15(21)20-8-6-17(7-9-20)22-11-12-10-13(18)4-5-14(12)23-17/h4-5,10H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyFVOZTKNGZBDQJP-UHFFFAOYSA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide (CID 126472090) is 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide is CC(C)(C)NC(=O)N1CCC2(CC1)OCc1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The InChIKey is FVOZTKNGZBDQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-16(2,3)19-15(21)20-8-6-17(7-9-20)22-11-12-10-13(18)4-5-14(12)23-17/h4-5,10H,6-9,11H2,1-3H3,(H,19,21).
What are the key properties of 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-tert-butylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 126472090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).