1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide

C14H18N2O2S — CID 107161017

IUPAC1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C14H18N2O2S/c1-14(13(15)19)6-8-16(9-7-14)12(18)10-4-2-3-5-11(10)17/h2-5,17H,6-9H2,1H3,(H2,15,19)
InChIKeyGLUKAJIESGLIEM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.92
Rot. Bonds2

About 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide

1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107161017) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107161017
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C14H18N2O2S/c1-14(13(15)19)6-8-16(9-7-14)12(18)10-4-2-3-5-11(10)17/h2-5,17H,6-9H2,1H3,(H2,15,19)
InChIKeyGLUKAJIESGLIEM-UHFFFAOYSA-N
XLogP1.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.92
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-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
1-(2-bromo-3-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107982295
1-(1,3-dimethylpyrazole-4-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161004
1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161015
8-azaspiro[4.5]decan-8-yl-(2-hydroxyphenyl)methanone
CID 63161441
1-(2-bromo-4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160973
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanethioamide
CID 63339627
1-(2,3-dihydroxybenzoyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 114343646
1-[3-(dimethylamino)benzoyl]-4-methylpiperidine-4-carbothioamide
CID 107160983
1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161132
4-methyl-1-(2-phenylbutanoyl)piperidine-4-carbothioamide
CID 107161116
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide (CID 107161017) is 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide is CC1(C(N)=S)CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is GLUKAJIESGLIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(13(15)19)6-8-16(9-7-14)12(18)10-4-2-3-5-11(10)17/h2-5,17H,6-9H2,1H3,(H2,15,19).
What are the key properties of 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide?
1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 278.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).