(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C12H15FN2O3S — CID 778314

IUPAC(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)15-7-1-2-9(8-15)12(14)16/h3-6,9H,1-2,7-8H2,(H2,14,16)/t9-/m1/s1
InChIKeyKNOANJDBMHJVOT-SECBINFHSA-N
MW286.33 g/mol
LogP0.71
Rot. Bonds3

About (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 778314) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID778314
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)15-7-1-2-9(8-15)12(14)16/h3-6,9H,1-2,7-8H2,(H2,14,16)/t9-/m1/s1
InChIKeyKNOANJDBMHJVOT-SECBINFHSA-N
XLogP0.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3938384
(3R)-N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9207175
cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 18226686
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 778314) is (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KNOANJDBMHJVOT-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)15-7-1-2-9(8-15)12(14)16/h3-6,9H,1-2,7-8H2,(H2,14,16)/t9-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 778314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).