N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C18H20FN3O3S — CID 3242560

IUPACN-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C18H20FN3O3S/c19-16-7-5-14(6-8-16)11-21-18(23)15-3-2-10-22(13-15)26(24,25)17-4-1-9-20-12-17/h1,4-9,12,15H,2-3,10-11,13H2,(H,21,23)
InChIKeyKXKYCEFIODNHEI-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.94
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3242560) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID3242560
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C18H20FN3O3S/c19-16-7-5-14(6-8-16)11-21-18(23)15-3-2-10-22(13-15)26(24,25)17-4-1-9-20-12-17/h1,4-9,12,15H,2-3,10-11,13H2,(H,21,23)
InChIKeyKXKYCEFIODNHEI-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

N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]piperidine-3-carboxamide
CID 40921596
(3R)-1-(4-fluorophenyl)sulfonyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 35859361
(3S)-N-[(4-fluorophenyl)methyl]-1-[(3R)-3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 98222096
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
1-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20911306
N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 122175043
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41024865
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 38529319

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 3242560) is N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is KXKYCEFIODNHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-16-7-5-14(6-8-16)11-21-18(23)15-3-2-10-22(13-15)26(24,25)17-4-1-9-20-12-17/h1,4-9,12,15H,2-3,10-11,13H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-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 N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3242560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).