N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

C17H23FN2O5S — CID 55931022

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C17H23FN2O5S/c1-26(22,23)20-7-3-2-4-15(20)17(21)19-6-5-12-8-14(18)9-13-10-24-11-25-16(12)13/h8-9,15H,2-7,10-11H2,1H3,(H,19,21)
InChIKeyWLACKYGCOSZEBQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 55931022) has the molecular formula C17H23FN2O5S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID55931022
Molecular FormulaC17H23FN2O5S
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C17H23FN2O5S/c1-26(22,23)20-7-3-2-4-15(20)17(21)19-6-5-12-8-14(18)9-13-10-24-11-25-16(12)13/h8-9,15H,2-7,10-11H2,1H3,(H,19,21)
InChIKeyWLACKYGCOSZEBQ-UHFFFAOYSA-N
XLogP1.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975222
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]piperidine-4-carboxamide
CID 55666096
(3R)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 94124395
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
CID 47012412
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CID 2811098
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763
1-(cyclohexylmethyl)-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119130299
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
ethyl 1-[N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994844
1-(cyclobutylmethyl)-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119151396
(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 35097802
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
CID 55841751

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 55931022) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)NCCc1cc(F)cc2c1OCOC2.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is WLACKYGCOSZEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O5S/c1-26(22,23)20-7-3-2-4-15(20)17(21)19-6-5-12-8-14(18)9-13-10-24-11-25-16(12)13/h8-9,15H,2-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55931022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).