1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide

C13H15FN2O2S — CID 107026087

IUPAC1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1cc(S)ccc1F
InChIInChI=1S/C13H15FN2O2S/c14-10-5-4-8(19)7-9(10)13(18)16-6-2-1-3-11(16)12(15)17/h4-5,7,11,19H,1-3,6H2,(H2,15,17)
InChIKeyKWWODUFBWBJUQC-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.59
Rot. Bonds2

About 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide

1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide (PubChem CID 107026087) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide
PubChem CID107026087
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1cc(S)ccc1F
InChIInChI=1S/C13H15FN2O2S/c14-10-5-4-8(19)7-9(10)13(18)16-6-2-1-3-11(16)12(15)17/h4-5,7,11,19H,1-3,6H2,(H2,15,17)
InChIKeyKWWODUFBWBJUQC-UHFFFAOYSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxamide
CID 62508896
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107033947
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
1-(4-fluoro-3-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107021942
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
1-(2,5-dihydroxybenzoyl)piperidine-2-carboxamide
CID 107722668
1-(5-hydroxy-2-nitrobenzoyl)piperidine-2-carboxamide
CID 102741575
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide
CID 102705184
[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 95173055

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide (CID 107026087) is 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)c1cc(S)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide?
The InChIKey is KWWODUFBWBJUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c14-10-5-4-8(19)7-9(10)13(18)16-6-2-1-3-11(16)12(15)17/h4-5,7,11,19H,1-3,6H2,(H2,15,17).
What are the key properties of 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide?
1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide is sourced from PubChem (CID 107026087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).