N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide

C11H21N3O2S — CID 3218537

IUPACN-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide
SMILESCOCCNC(=S)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H21N3O2S/c1-9(15)13-10-3-6-14(7-4-10)11(17)12-5-8-16-2/h10H,3-8H2,1-2H3,(H,12,17)(H,13,15)
InChIKeyWBZMTJPDUGLJEU-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.11
Rot. Bonds4

About N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide

N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide (PubChem CID 3218537) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide
PubChem CID3218537
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide
SMILESCOCCNC(=S)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H21N3O2S/c1-9(15)13-10-3-6-14(7-4-10)11(17)12-5-8-16-2/h10H,3-8H2,1-2H3,(H,12,17)(H,13,15)
InChIKeyWBZMTJPDUGLJEU-UHFFFAOYSA-N
XLogP0.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide (CID 3218537) is N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide is COCCNC(=S)N1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide?
The InChIKey is WBZMTJPDUGLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-9(15)13-10-3-6-14(7-4-10)11(17)12-5-8-16-2/h10H,3-8H2,1-2H3,(H,12,17)(H,13,15).
What are the key properties of N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide?
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide has a molecular weight of 259.37 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 3218537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).