1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone

C20H21NO4 — CID 126473308

IUPAC1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)OCc1cc(-c3ccc(O)cc3)ccc1O2
InChIInChI=1S/C20H21NO4/c1-14(22)21-10-8-20(9-11-21)24-13-17-12-16(4-7-19(17)25-20)15-2-5-18(23)6-3-15/h2-7,12,23H,8-11,13H2,1H3
InChIKeyJFWNQJLIIDPSAV-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.31
Rot. Bonds1

About 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone

1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone (PubChem CID 126473308) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone
PubChem CID126473308
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)OCc1cc(-c3ccc(O)cc3)ccc1O2
InChIInChI=1S/C20H21NO4/c1-14(22)21-10-8-20(9-11-21)24-13-17-12-16(4-7-19(17)25-20)15-2-5-18(23)6-3-15/h2-7,12,23H,8-11,13H2,1H3
InChIKeyJFWNQJLIIDPSAV-UHFFFAOYSA-N
XLogP3.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
CID 126472139
6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 126475482
cyclopropyl-(6-pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone
CID 135141602
ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 135125393
2-[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carbonyl]cyclobutane-1-carboxylic acid
CID 126472155
ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 135125244
[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone
CID 126472439
2-[4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)phenyl]ethanol;formaldehyde;methanamine
CID 143841855
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide
CID 58199503
1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone
CID 126471832
tert-butyl 6-[3-(2-anilino-2-oxoethoxy)phenyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 58711769
1-(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 126473582

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone (CID 126473308) is 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone is CC(=O)N1CCC2(CC1)OCc1cc(-c3ccc(O)cc3)ccc1O2.
What is the InChIKey of 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone?
The InChIKey is JFWNQJLIIDPSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14(22)21-10-8-20(9-11-21)24-13-17-12-16(4-7-19(17)25-20)15-2-5-18(23)6-3-15/h2-7,12,23H,8-11,13H2,1H3.
What are the key properties of 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone?
1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone has a molecular weight of 339.39 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 126473308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).