1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide

C17H18FN3O4S — CID 55644495

IUPAC1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O4S/c18-13-3-5-14(6-4-13)26(24,25)21-9-1-2-12(11-21)17(23)20-15-10-19-8-7-16(15)22/h3-8,10,12H,1-2,9,11H2,(H,19,22)(H,20,23)
InChIKeyIVEKUXCYLGCOMR-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.55
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 55644495) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
PubChem CID55644495
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O4S/c18-13-3-5-14(6-4-13)26(24,25)21-9-1-2-12(11-21)17(23)20-15-10-19-8-7-16(15)22/h3-8,10,12H,1-2,9,11H2,(H,19,22)(H,20,23)
InChIKeyIVEKUXCYLGCOMR-UHFFFAOYSA-N
XLogP1.55
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461778
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 41242824
N-(2,5-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 4018187
(3R)-N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690844
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 1283960
(3S)-N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9272798
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide (CID 55644495) is 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide is O=C(Nc1c[nH]ccc1=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is IVEKUXCYLGCOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c18-13-3-5-14(6-4-13)26(24,25)21-9-1-2-12(11-21)17(23)20-15-10-19-8-7-16(15)22/h3-8,10,12H,1-2,9,11H2,(H,19,22)(H,20,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55644495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).