N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide

C12H15FN2OS — CID 123534187

IUPACN-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(S)CC1
InChIInChI=1S/C12H15FN2OS/c13-9-1-3-10(4-2-9)14-12(16)15-7-5-11(17)6-8-15/h1-4,11,17H,5-8H2,(H,14,16)
InChIKeyKXPVKSGNGPSNKU-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.75
Rot. Bonds1

About N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide

N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide (PubChem CID 123534187) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
PubChem CID123534187
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC NameN-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(S)CC1
InChIInChI=1S/C12H15FN2OS/c13-9-1-3-10(4-2-9)14-12(16)15-7-5-11(17)6-8-15/h1-4,11,17H,5-8H2,(H,14,16)
InChIKeyKXPVKSGNGPSNKU-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
CID 138992828
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
(3aS,8aS)-N-(4-fluorophenyl)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine-6-carboxamide
CID 125227580
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 46366168
4-amino-N-(4-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 68909816
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide (CID 123534187) is N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(S)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide?
The InChIKey is KXPVKSGNGPSNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-9-1-3-10(4-2-9)14-12(16)15-7-5-11(17)6-8-15/h1-4,11,17H,5-8H2,(H,14,16).
What are the key properties of N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide?
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide is sourced from PubChem (CID 123534187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).