1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide

C13H15FN2O2S — CID 107014936

IUPAC1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C13H15FN2O2S/c14-9-1-2-10(11(17)7-9)13(18)16-5-3-8(4-6-16)12(15)19/h1-2,7-8,17H,3-6H2,(H2,15,19)
InChIKeyKWTSFOLGSVJVEV-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.67
Rot. Bonds2

About 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide

1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide (PubChem CID 107014936) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
PubChem CID107014936
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C13H15FN2O2S/c14-9-1-2-10(11(17)7-9)13(18)16-5-3-8(4-6-16)12(15)19/h1-2,7-8,17H,3-6H2,(H2,15,19)
InChIKeyKWTSFOLGSVJVEV-UHFFFAOYSA-N
XLogP1.67
TPSA66.56 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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830003
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
1-(2-chloro-4-methylbenzoyl)piperidine-4-carbothioamide
CID 106861309
(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
1-(2,5-dibromothiophene-3-carbonyl)piperidine-4-carbothioamide
CID 114021251

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide?
The IUPAC name of 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide (CID 107014936) is 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide.
What is the SMILES notation for 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide?
The canonical SMILES for 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide is NC(=S)C1CCN(C(=O)c2ccc(F)cc2O)CC1.
What is the InChIKey of 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide?
The InChIKey is KWTSFOLGSVJVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c14-9-1-2-10(11(17)7-9)13(18)16-5-3-8(4-6-16)12(15)19/h1-2,7-8,17H,3-6H2,(H2,15,19).
What are the key properties of 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide?
1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide has a molecular weight of 282.34 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide is sourced from PubChem (CID 107014936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).