1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate

C15H15FNO5- — CID 6930925

IUPAC1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)c2cc(F)cc3c2OCOC3)CC1
InChIInChI=1S/C15H16FNO5/c16-11-5-10-7-21-8-22-13(10)12(6-11)14(18)17-3-1-9(2-4-17)15(19)20/h5-6,9H,1-4,7-8H2,(H,19,20)/p-1
InChIKeyYCPJRYIBIHQGOG-UHFFFAOYSA-M
MW308.29 g/mol
LogP0.29
Rot. Bonds2

About 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate

1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate (PubChem CID 6930925) has the molecular formula C15H15FNO5- and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate
PubChem CID6930925
Molecular FormulaC15H15FNO5-
Molecular Weight308.29 g/mol
Exact Mass308.09
IUPAC Name1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)c2cc(F)cc3c2OCOC3)CC1
InChIInChI=1S/C15H16FNO5/c16-11-5-10-7-21-8-22-13(10)12(6-11)14(18)17-3-1-9(2-4-17)15(19)20/h5-6,9H,1-4,7-8H2,(H,19,20)/p-1
InChIKeyYCPJRYIBIHQGOG-UHFFFAOYSA-M
XLogP0.29
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone
CID 139562785
(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
CID 139562777
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 91090408
methyl 1-[N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 119131171
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CID 2811098
N-(5-chloro-2-hydroxyphenyl)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 112841794
(3R)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 94124395
N-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 42541957
(4-chloropiperidin-1-yl)-(2,5-difluoro-3-nitrophenyl)methanone
CID 107123451
1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47006679
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 27264580
2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975222

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate?
The IUPAC name of 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate (CID 6930925) is 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate is O=C([O-])C1CCN(C(=O)c2cc(F)cc3c2OCOC3)CC1.
What is the InChIKey of 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate?
The InChIKey is YCPJRYIBIHQGOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16FNO5/c16-11-5-10-7-21-8-22-13(10)12(6-11)14(18)17-3-1-9(2-4-17)15(19)20/h5-6,9H,1-4,7-8H2,(H,19,20)/p-1.
What are the key properties of 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate?
1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate has a molecular weight of 308.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 6930925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).