4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide

C18H16ClF4N3O3S — CID 71165123

IUPAC4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1
InChIInChI=1S/C18H16ClF4N3O3S/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-12-3-5-13(6-4-12)30(28,29)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27)
InChIKeyGGWFEZWYXKHBHZ-UHFFFAOYSA-N
MW465.86 g/mol
LogP4.52
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide

4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide (PubChem CID 71165123) has the molecular formula C18H16ClF4N3O3S and a molecular weight of 465.86 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
PubChem CID71165123
Molecular FormulaC18H16ClF4N3O3S
Molecular Weight465.86 g/mol
Exact Mass465.05
IUPAC Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1
InChIInChI=1S/C18H16ClF4N3O3S/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-12-3-5-13(6-4-12)30(28,29)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27)
InChIKeyGGWFEZWYXKHBHZ-UHFFFAOYSA-N
XLogP4.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane
CID 161177971
N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 11461873
methyl N-[4-(3-chloro-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-N'-(4-fluorophenyl)carbamimidothioate
CID 136592617
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11247815
4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
CID 159531960
4-fluoro-4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;1-isocyanato-4-propan-2-ylbenzene
CID 87885440
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoropiperidine-1-carboxamide
CID 162052613
4-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]piperazine-1-carboxamide
CID 21037631
4-(3-chloro-2-pyridinyl)-N-[4-(4-hydroxyoxan-4-yl)phenyl]piperazine-1-carboxamide
CID 142110737
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7376470
4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 25104486

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide (CID 71165123) is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide?
The InChIKey is GGWFEZWYXKHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4N3O3S/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-12-3-5-13(6-4-12)30(28,29)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide has a molecular weight of 465.86 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71165123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).