1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide

C14H18FN3OS — CID 103195931

IUPAC1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(C(N)=S)c(F)c2)C1
InChIInChI=1S/C14H18FN3OS/c1-17-14(19)9-3-2-6-18(8-9)10-4-5-11(13(16)20)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H2,16,20)(H,17,19)
InChIKeyYRYULQPZIUKKRT-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide

1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103195931) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103195931
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(C(N)=S)c(F)c2)C1
InChIInChI=1S/C14H18FN3OS/c1-17-14(19)9-3-2-6-18(8-9)10-4-5-11(13(16)20)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H2,16,20)(H,17,19)
InChIKeyYRYULQPZIUKKRT-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 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 ≤ 51.42
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

1-(3-bromo-4-carbamothioyl-2-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 107535479
1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 103196319
2-fluoro-4-[3-(trifluoromethyl)piperidin-1-yl]benzenecarbothioamide
CID 115368419
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
methyl 1-(3-bromo-4-carbamothioylphenyl)piperidine-3-carboxylate
CID 107278010
1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 103196506
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
3,5-difluoro-4-[3-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 103196242
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103194423

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide (CID 103195931) is 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(C(N)=S)c(F)c2)C1.
What is the InChIKey of 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is YRYULQPZIUKKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-17-14(19)9-3-2-6-18(8-9)10-4-5-11(13(16)20)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide?
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).