1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide

C14H17FN2OS — CID 107161015

IUPAC1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2OS/c1-14(13(16)19)6-8-17(9-7-14)12(18)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,19)
InChIKeyLXQPMKNKPISILS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.35
Rot. Bonds2

About 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide

1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107161015) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107161015
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2OS/c1-14(13(16)19)6-8-17(9-7-14)12(18)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,19)
InChIKeyLXQPMKNKPISILS-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
1-(3-fluoro-4-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160927
4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 107161223
1-(2-bromo-4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160973
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160873
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161128
1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161017
1-[3-(dimethylamino)benzoyl]-4-methylpiperidine-4-carbothioamide
CID 107160983
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
CID 69121595
1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161132
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide (CID 107161015) is 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide is CC1(C(N)=S)CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is LXQPMKNKPISILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-14(13(16)19)6-8-17(9-7-14)12(18)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,19).
What are the key properties of 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide?
1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 280.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).