1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide

C18H20FN3O3S — CID 3240894

IUPAC1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-2-1-5-17(22)18(23)21-13-14-4-3-10-20-12-14/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,21,23)
InChIKeyBWNDIYMRNKZDQS-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.08
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 3240894) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
PubChem CID3240894
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-2-1-5-17(22)18(23)21-13-14-4-3-10-20-12-14/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,21,23)
InChIKeyBWNDIYMRNKZDQS-UHFFFAOYSA-N
XLogP2.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide (CID 3240894) is 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide is O=C(NCc1cccnc1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is BWNDIYMRNKZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-2-1-5-17(22)18(23)21-13-14-4-3-10-20-12-14/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 3240894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).