1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide

C14H18FN3OS — CID 79513892

IUPAC1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cccc(F)c1C(N)=S
InChIInChI=1S/C14H18FN3OS/c1-8-5-6-9(13(16)19)7-18(8)11-4-2-3-10(15)12(11)14(17)20/h2-4,8-9H,5-7H2,1H3,(H2,16,19)(H2,17,20)
InChIKeySMYYYLMCSOUSNZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.55
Rot. Bonds3

About 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide

1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide (PubChem CID 79513892) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide
PubChem CID79513892
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cccc(F)c1C(N)=S
InChIInChI=1S/C14H18FN3OS/c1-8-5-6-9(13(16)19)7-18(8)11-4-2-3-10(15)12(11)14(17)20/h2-4,8-9H,5-7H2,1H3,(H2,16,19)(H2,17,20)
InChIKeySMYYYLMCSOUSNZ-UHFFFAOYSA-N
XLogP1.55
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.55
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

2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid
CID 83205781
1-(2-carbamothioyl-3-fluorophenyl)piperidine-2-carboxamide
CID 79513346
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
2-(2,5-dimethylpiperidin-1-yl)-6-fluorobenzoic acid
CID 79511024
1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 114288364
2-fluoro-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarbothioamide
CID 114536984
2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 79516134
2-fluoro-6-(2,3,5-trimethylpiperidin-1-yl)benzenecarbothioamide
CID 114593344
2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79520284
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-(5-amino-1H-pyrazol-4-yl)-6-methylpiperidine-3-carboxamide
CID 82235443
1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 66077237

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide (CID 79513892) is 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1cccc(F)c1C(N)=S.
What is the InChIKey of 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is SMYYYLMCSOUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-8-5-6-9(13(16)19)7-18(8)11-4-2-3-10(15)12(11)14(17)20/h2-4,8-9H,5-7H2,1H3,(H2,16,19)(H2,17,20).
What are the key properties of 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide?
1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 79513892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).