1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide

C23H28FN3O3S — CID 26520187

IUPAC1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O3S/c24-19-8-10-20(11-9-19)31(29,30)27-16-12-18(13-17-27)23(28)25-21-6-2-3-7-22(21)26-14-4-1-5-15-26/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,28)
InChIKeyHOEKVHZNUJLQAC-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 26520187) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID26520187
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O3S/c24-19-8-10-20(11-9-19)31(29,30)27-16-12-18(13-17-27)23(28)25-21-6-2-3-7-22(21)26-14-4-1-5-15-26/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,28)
InChIKeyHOEKVHZNUJLQAC-UHFFFAOYSA-N
XLogP3.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
1-(2,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520191
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
1-(4-fluorophenyl)sulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110246566
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 41242824
1-(4-fluorophenyl)sulfonyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 100651425
N-[2-(butylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100651538
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide (CID 26520187) is 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is HOEKVHZNUJLQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c24-19-8-10-20(11-9-19)31(29,30)27-16-12-18(13-17-27)23(28)25-21-6-2-3-7-22(21)26-14-4-1-5-15-26/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 3.86, 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-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26520187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).