1-benzoyl-4-methylpiperidine-4-carbothioamide

C14H18N2OS — CID 107160872

IUPAC1-benzoyl-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2OS/c1-14(13(15)18)7-9-16(10-8-14)12(17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,18)
InChIKeyKQVZLEOVGJFGDE-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.21
Rot. Bonds2

About 1-benzoyl-4-methylpiperidine-4-carbothioamide

1-benzoyl-4-methylpiperidine-4-carbothioamide (PubChem CID 107160872) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-benzoyl-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-benzoyl-4-methylpiperidine-4-carbothioamide
PubChem CID107160872
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-benzoyl-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2OS/c1-14(13(15)18)7-9-16(10-8-14)12(17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,18)
InChIKeyKQVZLEOVGJFGDE-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161015
1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161017
1-[3-(dimethylamino)benzoyl]-4-methylpiperidine-4-carbothioamide
CID 107160983
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160873
1-(3-fluoro-4-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160927
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594
4-methyl-1-(2-phenylbutanoyl)piperidine-4-carbothioamide
CID 107161116
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161128
1-(2-bromo-3-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107982295
1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161132
1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160923
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-benzoyl-4-methylpiperidine-4-carbothioamide (CID 107160872) is 1-benzoyl-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-benzoyl-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-benzoyl-4-methylpiperidine-4-carbothioamide is CC1(C(N)=S)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-4-methylpiperidine-4-carbothioamide?
The InChIKey is KQVZLEOVGJFGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(13(15)18)7-9-16(10-8-14)12(17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,18).
What are the key properties of 1-benzoyl-4-methylpiperidine-4-carbothioamide?
1-benzoyl-4-methylpiperidine-4-carbothioamide has a molecular weight of 262.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107160872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).