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

C18H20FN3O3S — CID 2969235

IUPAC1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-11-3-4-14(13-22)18(23)21-12-16-5-1-2-10-20-16/h1-2,5-10,14H,3-4,11-13H2,(H,21,23)
InChIKeyWESQDLZUOZPQBD-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.94
Rot. Bonds5

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

1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 2969235) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID2969235
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-11-3-4-14(13-22)18(23)21-12-16-5-1-2-10-20-16/h1-2,5-10,14H,3-4,11-13H2,(H,21,23)
InChIKeyWESQDLZUOZPQBD-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41010253
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41009115
(3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41024969
1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 55859239
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486
(3S)-1-(4-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 1456645
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335784
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 15996427
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335855
1-(3,4-difluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35747322

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 2969235) is 1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WESQDLZUOZPQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-11-3-4-14(13-22)18(23)21-12-16-5-1-2-10-20-16/h1-2,5-10,14H,3-4,11-13H2,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 1.94, 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-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2969235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).