N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H25FN2O4S — CID 71810637

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOC(C)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1F
InChIInChI=1S/C17H25FN2O4S/c1-17(24-2,14-6-4-5-7-15(14)18)12-19-16(21)13-8-10-20(11-9-13)25(3,22)23/h4-7,13H,8-12H2,1-3H3,(H,19,21)
InChIKeyOUFVGIQSAYBYTI-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.48
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71810637) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71810637
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOC(C)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1F
InChIInChI=1S/C17H25FN2O4S/c1-17(24-2,14-6-4-5-7-15(14)18)12-19-16(21)13-8-10-20(11-9-13)25(3,22)23/h4-7,13H,8-12H2,1-3H3,(H,19,21)
InChIKeyOUFVGIQSAYBYTI-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71810637) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide is COC(C)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is OUFVGIQSAYBYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-17(24-2,14-6-4-5-7-15(14)18)12-19-16(21)13-8-10-20(11-9-13)25(3,22)23/h4-7,13H,8-12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 372.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71810637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).