1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C16H19FN4O4S — CID 56724155

IUPAC1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C16H19FN4O4S/c1-11-19-15(25-20-11)10-18-16(22)12-6-8-21(9-7-12)26(23,24)14-5-3-2-4-13(14)17/h2-5,12H,6-10H2,1H3,(H,18,22)
InChIKeyQTCZDCPSYBOSCP-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.23
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 56724155) has the molecular formula C16H19FN4O4S and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID56724155
Molecular FormulaC16H19FN4O4S
Molecular Weight382.42 g/mol
Exact Mass382.11
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C16H19FN4O4S/c1-11-19-15(25-20-11)10-18-16(22)12-6-8-21(9-7-12)26(23,24)14-5-3-2-4-13(14)17/h2-5,12H,6-10H2,1H3,(H,18,22)
InChIKeyQTCZDCPSYBOSCP-UHFFFAOYSA-N
XLogP1.23
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 56724155) is 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QTCZDCPSYBOSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4S/c1-11-19-15(25-20-11)10-18-16(22)12-6-8-21(9-7-12)26(23,24)14-5-3-2-4-13(14)17/h2-5,12H,6-10H2,1H3,(H,18,22).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56724155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).