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

C10H18N2O2S — CID 107160961

IUPAC1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
SMILESCOCC(=O)N1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C10H18N2O2S/c1-10(9(11)15)3-5-12(6-4-10)8(13)7-14-2/h3-7H2,1-2H3,(H2,11,15)
InChIKeyRASXGGGQHYGZMG-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.55
Rot. Bonds3

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

1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107160961) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107160961
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
SMILESCOCC(=O)N1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C10H18N2O2S/c1-10(9(11)15)3-5-12(6-4-10)8(13)7-14-2/h3-7H2,1-2H3,(H2,11,15)
InChIKeyRASXGGGQHYGZMG-UHFFFAOYSA-N
XLogP0.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyacetyl)-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-(4-methoxybutanoyl)-4-methylpiperidine-4-carbothioamide
CID 107161082
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
methyl 4-carbamothioyl-4-methylpiperidine-1-carboxylate
CID 107161220
4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
CID 107161559
4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide
CID 107161141
1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161132
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 54872234
1-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 81172336
N'-hydroxy-1-(2-methoxyacetyl)-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108950
1-[2-(3,4-dimethylphenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161126
1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161474
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide (CID 107160961) is 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide is COCC(=O)N1CCC(C)(C(N)=S)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is RASXGGGQHYGZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(9(11)15)3-5-12(6-4-10)8(13)7-14-2/h3-7H2,1-2H3,(H2,11,15).
What are the key properties of 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide?
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 230.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107160961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).